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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C

InChI

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