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

Systemtic Name: hexyl 4-[2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-2-3-4-5-10-27-17(26)13-6-8-14(9-7-13)21-15(24)12-28-18-22-20-11-16(25)23(18)19/h6-9,11H,2-5,10,12,19H2,1H3,(H,21,24)