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

Systemtic Name: N-(4-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4-phenoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-phenoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-phenoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H18N4O2S/c27-21(17-6-4-5-16(13-17)14-29-22-23-15-24-26-22)25-18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-13,15H,14H2,(H,25,27)(H,23,24,26)