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

Systemtic Name: pentyl 4-[2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N

InChI

InChI=1S/C17H21N5O4S/c1-2-3-4-9-26-16(25)12-5-7-13(8-6-12)20-14(23)11-27-17-21-19-10-15(24)22(17)18/h5-8,10H,2-4,9,11,18H2,1H3,(H,20,23)