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

Systemtic Name: 6-(2-aminophenyl)-3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-aminophenyl)-3-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-aminophenyl)-3-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-(2-aminophenyl)-3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-aminophenyl)-3-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C18H13N6O2S- MolecularWeight: 377.39982

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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)C#N)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2S/c19-9-11-4-3-5-12(8-11)21-15(25)10-27-18-22-17(26)16(23-24-18)13-6-1-2-7-14(13)20/h1-8H,10,20H2,(H,21,25)(H,22,24,26)/p-1