3-[3-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[5-keto-3-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]thio]-2H-1,2,4-triazin-6-yl]propionate Formula: C16H17N4O5S- MolecularWeight: 377.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-9-3-5-12(25-2)11(7-9)17-13(21)8-26-16-18-15(24)10(19-20-16)4-6-14(22)23/h3,5,7H,4,6,8H2,1-2H3,(H,17,21)(H,22,23)(H,18,20,24)/p-1