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

Systemtic Name: 3-[4-azanyl-3-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[[2-(2-chloroanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[[2-(2-chloroanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C14H13ClN5O4S- MolecularWeight: 382.80212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O4S/c15-8-3-1-2-4-9(8)17-11(21)7-25-14-19-18-10(5-6-12(22)23)13(24)20(14)16/h1-4H,5-7,16H2,(H,17,21)(H,22,23)/p-1