N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-(butylthio)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-butylsulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-(butylthio)-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-3-4-13-27-21-24-23-19(25(21)18-12-8-9-16(2)14-18)15-22-20(26)17-10-6-5-7-11-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)