2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(5-methyl-3-thioxo-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(5-methyl-3-thioxo-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O3S/c1-7-12-11(19)14(13-7)6-10(16)8-2-4-9(5-3-8)15(17)18/h2-5H,6H2,1H3,(H,12,13,19)