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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CCC(=O)NCC(C)C)C1=NN=CN1C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCSCC(CCC(=O)NCC(C)C)C1=NN=CN1C2=CC(=CC=C2)Cl

InChI

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