6-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate

Systemtic Name: 6-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Openeye Name: 6-[3-(4-methylanilino)-3-oxo-propyl]-3-thioxo-2H-1,2,4-triazin-5-olate CAS Name: 6-[3-(4-methylanilino)-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate IUPAC Name: 6-[3-(4-methylanilino)-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Traditional Name: 6-[3-keto-3-(p-toluidino)propyl]-3-thioxo-2H-1,2,4-triazin-5-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC2=NNC(=S)N=C2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC2=NNC(=S)N=C2[O-]

InChI

InChI=1S/C13H14N4O2S/c1-8-2-4-9(5-3-8)14-11(18)7-6-10-12(19)15-13(20)17-16-10/h2-5H,6-7H2,1H3,(H,14,18)(H2,15,17,19,20)/p-1