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

Systemtic Name: ethyl 4-phenyl-2-[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23N5O3S2 MolecularWeight: 505.61182

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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)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=N4

InChI

InChI=1S/C25H23N5O3S2/c1-3-14-30-22(19-12-8-9-13-26-19)28-29-25(30)35-16-20(31)27-23-21(24(32)33-4-2)18(15-34-23)17-10-6-5-7-11-17/h3,5-13,15H,1,4,14,16H2,2H3,(H,27,31)