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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-29-20-13-11-17(12-14-20)21-25-23(27-26-21)30-15-16-7-9-18(10-8-16)22(28)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,24,28)(H,25,26,27)