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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C26H27N5O3S2/c1-3-34-24(33)21-20(19-12-8-5-9-13-19)16-36-23(21)28-22(32)17(2)31-25(27)29-30-26(31)35-15-14-18-10-6-4-7-11-18/h4-13,16-17H,3,14-15H2,1-2H3,(H2,27,29)(H,28,32)