ethyl 4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: ethyl 4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carboxylate Openeye Name: ethyl 4-[(E)-(2-nitrophenyl)methyleneamino]-5-thioxo-1,2,4-triazole-1-carboxylate CAS Name: 4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carboxylate Traditional Name: 4-[(E)-(2-nitrobenzylidene)amino]-5-thioxo-1,2,4-triazole-1-carboxylic acid ethyl ester Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=S)N(C=N1)N=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C(=S)N(C=N1)/N=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-2-21-12(18)16-11(22)15(8-14-16)13-7-9-5-3-4-6-10(9)17(19)20/h3-8H,2H2,1H3/b13-7+