propan-2-yl 3-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C

InChI

InChI=1S/C16H19N5O4S/c1-9(2)25-15(24)11-5-4-6-12(7-11)18-13(22)8-26-16-20-19-10(3)14(23)21(16)17/h4-7,9H,8,17H2,1-3H3,(H,18,22)