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

Systemtic Name: pentyl 4-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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