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

Systemtic Name: ethyl 3-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C20H20N4O3S2/c1-2-27-19(26)17-14(10-15(29-17)12-6-4-3-5-7-12)21-16(25)11-28-20-22-18(23-24-20)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,21,25)(H,22,23,24)