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

Systemtic Name: methyl 4-phenyl-2-[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O3S2/c1-5-11-26-19(14(2)3)24-25-22(26)31-13-17(27)23-20-18(21(28)29-4)16(12-30-20)15-9-7-6-8-10-15/h5-10,12,14H,1,11,13H2,2-4H3,(H,23,27)