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

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

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

Isomeric SMILES

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

InChI

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