(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(4-nitrophenyl)methanone Openeye Name: (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(4-nitrophenyl)methanone CAS Name: [5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(4-nitrophenyl)methanone Traditional Name: [5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H12N4O3S/c1-24-16-17-14(11-5-3-2-4-6-11)18-19(16)15(21)12-7-9-13(10-8-12)20(22)23/h2-10H,1H3