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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C)C(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c1-4-25-17(11-10-15-8-6-5-7-9-15)23-24-21(25)29-13-18(26)22-19-16(20(27)28-3)12-14(2)30-19/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,26)