ethyl 5-methyl-1-[3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)N3C(=C(C=N3)C(=O)OCC)C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)N3C(=C(C=N3)C(=O)OCC)C

InChI

InChI=1S/C20H24N6O3S/c1-4-7-17-23-24-20(30)25(17)12-18(27)22-14-8-6-9-15(10-14)26-13(3)16(11-21-26)19(28)29-5-2/h6,8-11H,4-5,7,12H2,1-3H3,(H,22,27)(H,24,30)