3-[4-azanyl-3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[4-azanyl-3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[[2-(2-methylanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-5-keto-3-[[2-keto-2-(o-toluidino)ethyl]thio]-1,2,4-triazin-6-yl]propionate Formula: C15H16N5O4S- MolecularWeight: 362.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-9-4-2-3-5-10(9)17-12(21)8-25-15-19-18-11(6-7-13(22)23)14(24)20(15)16/h2-5H,6-8,16H2,1H3,(H,17,21)(H,22,23)/p-1