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

Systemtic Name: 3-[5-oxidanylidene-3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[5-oxo-3-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[5-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(2-cumidino-2-keto-ethyl)thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C17H19N4O4S- MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-10(2)11-3-5-12(6-4-11)18-14(22)9-26-17-19-16(25)13(20-21-17)7-8-15(23)24/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,23,24)(H,19,21,25)/p-1