ethyl 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)C4CC4

InChI

InChI=1S/C23H26N4O3S2/c1-4-27-19(16-11-12-16)25-26-23(27)32-14(3)20(28)24-21-18(22(29)30-5-2)17(13-31-21)15-9-7-6-8-10-15/h6-10,13-14,16H,4-5,11-12H2,1-3H3,(H,24,28)