propyl 2-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 2-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C

InChI

InChI=1S/C15H19N5O3S/c1-3-8-23-14(22)11-6-4-5-7-12(11)17-13(21)9-24-15-19-18-10(2)20(15)16/h4-7H,3,8-9,16H2,1-2H3,(H,17,21)