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

Systemtic Name: ethyl 5-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4)C

InChI

InChI=1S/C20H22N4O3S2/c1-4-27-19(26)16-11(2)17(21-12(16)3)14(25)10-29-20-23-22-18(15-6-5-9-28-15)24(20)13-7-8-13/h5-6,9,13,21H,4,7-8,10H2,1-3H3