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

Systemtic Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(1-phenylethyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(1-phenylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(1-phenylethyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C18H18N4OS/c1-13(15-5-3-2-4-6-15)21-17(23)16-9-7-14(8-10-16)11-24-18-19-12-20-22-18/h2-10,12-13H,11H2,1H3,(H,21,23)(H,19,20,22)