tert-butyl N-[1-[3-chloranyl-4-[2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]-3-ethyl-pent-1-yn-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-chloranyl-4-[2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]-3-ethyl-pent-1-yn-3-yl]carbamate Openeye Name: tert-butyl N-[3-[3-chloro-4-[[2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]-1,1-diethyl-prop-2-ynyl]carbamate CAS Name: N-[1-[3-chloro-4-[[2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]phenyl]-3-ethylpent-1-yn-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-chloro-4-[[2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]-3-ethylpent-1-yn-3-yl]carbamate Traditional Name: N-[3-[3-chloro-4-[[2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]acetyl]amino]phenyl]-1,1-diethyl-prop-2-ynyl]carbamic acid tert-butyl ester Formula: C30H34Cl2N6O3S MolecularWeight: 629.60036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C4CC4)Cl)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)(C#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C4CC4)Cl)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H34Cl2N6O3S/c1-6-30(7-2,34-28(40)41-29(3,4)5)15-14-19-8-12-24(22(31)16-19)33-26(39)18-42-27-35-36-37-38(27)25-13-11-21(17-23(25)32)20-9-10-20/h8,11-13,16-17,20H,6-7,9-10,18H2,1-5H3,(H,33,39)(H,34,40)