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

Systemtic Name: butan-2-yl 4-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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