3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(3-nitroanilino)-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(3-nitroanilino)ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C17H12N5O4S- MolecularWeight: 382.37328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H13N5O4S/c23-14(18-12-7-4-8-13(9-12)22(25)26)10-27-17-19-16(24)15(20-21-17)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,23)(H,19,21,24)/p-1