ethyl 2-[[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxo-2-phenylethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NNC(=N4)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NNC(=N4)N

InChI

InChI=1S/C23H21N5O3S2/c1-2-31-21(30)16-13-17(14-9-5-3-6-10-14)32-20(16)25-19(29)18(15-11-7-4-8-12-15)33-23-26-22(24)27-28-23/h3-13,18H,2H2,1H3,(H,25,29)(H3,24,26,27,28)