[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2,2-dimethyl-but-3-ynyl] N-methylcarbamate

Systemtic Name: [4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2,2-dimethyl-but-3-ynyl] N-methylcarbamate Openeye Name: [4-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]-2,2-dimethyl-but-3-ynyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]-2,2-dimethylbut-3-ynyl] ester IUPAC Name: [4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]-2,2-dimethylbut-3-ynyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [4-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]-2,2-dimethyl-but-3-ynyl] ester Formula: C27H30Cl2N6O3S MolecularWeight: 589.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)COC(=O)NC)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)COC(=O)NC)Cl)Cl

InChI

InChI=1S/C27H30Cl2N6O3S/c1-26(2,3)18-8-10-22(20(29)14-18)35-24(32-33-34-35)39-15-23(36)31-21-9-7-17(13-19(21)28)11-12-27(4,5)16-38-25(37)30-6/h7-10,13-14H,15-16H2,1-6H3,(H,30,37)(H,31,36)