5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-isobutyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 5-(butylthio)-4-(3-chlorophenyl)-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 5-(butylthio)-4-(3-chlorophenyl)-N-isobutyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C21H31ClN4OS MolecularWeight: 423.01504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CCC(=O)N(CC(C)C)C1=NC=NN1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCSCC(CCC(=O)N(CC(C)C)C1=NC=NN1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H31ClN4OS/c1-4-5-11-28-14-18(17-7-6-8-19(22)12-17)9-10-20(27)26(13-16(2)3)21-23-15-24-25-21/h6-8,12,15-16,18H,4-5,9-11,13-14H2,1-3H3,(H,23,24,25)