N-[4-(3-azanyl-3-methyl-but-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-methyl-but-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-methyl-but-1-ynyl)-2-chloro-phenyl]-2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-[4-(3-amino-3-methylbut-1-ynyl)-2-chlorophenyl]-2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-[4-(3-amino-3-methylbut-1-ynyl)-2-chlorophenyl]-2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-[4-(3-amino-3-methyl-but-1-ynyl)-2-chloro-phenyl]-2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]acetamide Formula: C23H22Cl2N6OS MolecularWeight: 501.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N6OS/c1-23(2,26)10-9-14-3-7-19(17(24)11-14)27-21(32)13-33-22-28-29-30-31(22)20-8-6-16(12-18(20)25)15-4-5-15/h3,6-8,11-12,15H,4-5,13,26H2,1-2H3,(H,27,32)