ethyl 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S2/c1-4-27-19(26)15-10-16(13(2)3)29-18(15)22-17(25)11-28-20-23-21-12-24(20)14-8-6-5-7-9-14/h5-10,12-13H,4,11H2,1-3H3,(H,22,25)