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

Systemtic Name: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O3S/c1-25-16-18-14(10-5-7-12(17)8-6-10)19-20(16)15(22)11-3-2-4-13(9-11)21(23)24/h2-9H,1H3