butyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H24N4O3S/c1-3-4-12-29-21(28)16-8-10-18(11-9-16)23-19(27)14-26-20(24-25-22(26)30)17-7-5-6-15(2)13-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)(H,25,30)