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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=CN2C(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=CN2C(C)C

InChI

InChI=1S/C15H20N4O3S/c1-8(2)19-7-16-18-15(19)23-6-11(20)13-9(3)12(10(4)17-13)14(21)22-5/h7-8,17H,6H2,1-5H3