N-phenethyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-phenethyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-phenethyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-phenethyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-phenethyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-phenethyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c23-17(19-10-9-14-5-2-1-3-6-14)16-8-4-7-15(11-16)12-24-18-20-13-21-22-18/h1-8,11,13H,9-10,12H2,(H,19,23)(H,20,21,22)