ethyl 3,5-dimethyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C17H18N4O3S2/c1-4-24-16(23)14-9(2)13(10(3)18-14)11(22)8-26-17-19-15(20-21-17)12-6-5-7-25-12/h5-7,18H,4,8H2,1-3H3,(H,19,20,21)