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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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