N-(2-phenylbutyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-phenylbutyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-phenylbutyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2-phenylbutyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-phenylbutyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-phenylbutyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=C(C=C1)CSC2=NC=NN2)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)C1=CC=C(C=C1)CSC2=NC=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-2-16(17-6-4-3-5-7-17)12-21-19(25)18-10-8-15(9-11-18)13-26-20-22-14-23-24-20/h3-11,14,16H,2,12-13H2,1H3,(H,21,25)(H,22,23,24)