N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylbutanamide Traditional Name: N-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethyl-butyramide Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H29ClN4OS/c1-16-11-12-19(25)13-20(16)29-22(17(2)26-21(30)14-24(3,4)5)27-28-23(29)31-15-18-9-7-6-8-10-18/h6-13,17H,14-15H2,1-5H3,(H,26,30)