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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N6O4S2 MolecularWeight: 460.5299

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC)C3=CC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC)C3=CC=CC=N3

InChI

InChI=1S/C19H20N6O4S2/c1-4-25-16(11-7-5-6-8-21-11)23-24-19(25)30-9-12(26)22-17-13(18(28)29-3)10(2)14(31-17)15(20)27/h5-8H,4,9H2,1-3H3,(H2,20,27)(H,22,26)