2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O3S/c1-21-16(11-5-7-13(18)8-6-11)19-20-17(21)26-10-15(23)12-3-2-4-14(9-12)22(24)25/h2-9H,10H2,1H3