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

Systemtic Name: methyl 2-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O3S2/c1-5-15-23-24-21(25(15)6-2)29-12-16(26)22-19-18(20(27)28-4)17(13(3)30-19)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,22,26)