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

Systemtic Name: methyl 2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C17H20N4O3S/c1-24-16(23)12-8-4-5-9-13(12)18-14(22)10-25-17-19-15(20-21-17)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,18,22)(H,19,20,21)