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

Systemtic Name: methyl 2-[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O3S2/c1-4-11-25-16(5-2)23-24-21(25)30-13-17(26)22-19-18(20(27)28-3)15(12-29-19)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,22,26)