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

Systemtic Name: N-[4-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-28-19-13-11-18(12-14-19)26-20(24-25-22(26)29)15-7-9-17(10-8-15)23-21(27)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,27)(H,25,29)