ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20)