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

Systemtic Name: methyl 5-methyl-2-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C17H17N5O3S2/c1-10-7-12(16(24)25-3)15(27-10)19-13(23)9-26-17-21-20-14(22(17)2)11-5-4-6-18-8-11/h4-8H,9H2,1-3H3,(H,19,23)