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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H25N5O3S2/c1-5-12-27-19(15-8-10-23-11-9-15)25-26-22(27)31-13-17(28)24-20-18(21(29)30-7-3)14(4)16(6-2)32-20/h5,8-11H,1,6-7,12-13H2,2-4H3,(H,24,28)