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

Systemtic Name: ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(4-methyl-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=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=CN3C

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)12(2)27-19-22-20-11-23(19)3/h5-12H,4H2,1-3H3,(H,21,24)