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

Systemtic Name: methyl 2-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5O3S2/c1-4-29-21(17-10-12-25-13-11-17)27-28-24(29)33-14-18(30)26-22-20(23(31)32-3)19(15(2)34-22)16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3,(H,26,30)