N-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-phenyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-phenyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS/c27-21(23-19-9-5-2-6-10-19)18-13-11-16(12-14-18)15-28-22-24-20(25-26-22)17-7-3-1-4-8-17/h1-14H,15H2,(H,23,27)(H,24,25,26)