[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-25-14-8-6-11(7-9-14)15-18-17(26-2)20(19-15)16(22)12-4-3-5-13(10-12)21(23)24/h3-10H,1-2H3