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

Systemtic Name: ethyl 2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(=O)OCC

InChI

InChI=1S/C21H23N5O3S2/c1-3-15-11-16(20(28)29-4-2)19(31-15)23-17(27)12-30-21-25-24-18(26(21)14-5-6-14)13-7-9-22-10-8-13/h7-11,14H,3-6,12H2,1-2H3,(H,23,27)