N-[4-(3-azanyl-3-ethyl-pent-1-ynyl)-2-chloranyl-phenyl]-2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(3-azanyl-3-ethyl-pent-1-ynyl)-2-chloranyl-phenyl]-2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-[4-(3-amino-3-ethyl-pent-1-ynyl)-2-chloro-phenyl]-2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-(3-amino-3-ethylpent-1-ynyl)-2-chlorophenyl]-2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-(3-amino-3-ethylpent-1-ynyl)-2-chlorophenyl]-2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-(3-amino-3-ethyl-pent-1-ynyl)-2-chloro-phenyl]-2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]acetamide Formula: C25H26Cl2N6OS MolecularWeight: 529.48454

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H26Cl2N6OS/c1-3-25(28,4-2)12-11-16-5-9-21(19(26)13-16)29-23(34)15-35-24-30-31-32-33(24)22-10-8-18(14-20(22)27)17-6-7-17/h5,8-10,13-14,17H,3-4,6-7,15,28H2,1-2H3,(H,29,34)