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

Systemtic Name: methyl 5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C14H18N4O3S/c1-5-10-16-14(18-17-10)22-6-9(19)12-7(2)11(8(3)15-12)13(20)21-4/h15H,5-6H2,1-4H3,(H,16,17,18)