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

Systemtic Name: ethyl 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NNC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NNC(=N3)C

InChI

InChI=1S/C19H20N4O3S2/c1-4-26-18(25)14-10-15(13-8-6-5-7-9-13)28-17(14)21-16(24)11(2)27-19-20-12(3)22-23-19/h5-11H,4H2,1-3H3,(H,21,24)(H,20,22,23)