3-[4-azanyl-3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-3-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-3-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-3-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionic acid Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)C

InChI

InChI=1S/C16H19N5O4S/c1-9-5-10(2)7-11(6-9)18-13(22)8-26-16-20-19-12(3-4-14(23)24)15(25)21(16)17/h5-7H,3-4,8,17H2,1-2H3,(H,18,22)(H,23,24)