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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-32-18-12-10-17(11-13-18)27-22(19-4-2-3-5-20(19)28(30)31)25-26-23(27)33-14-15-6-8-16(9-7-15)21(24)29/h2-13H,14H2,1H3,(H2,24,29)