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

Systemtic Name: ethyl 4-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NNC(=N2)C3CCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NNC(=N2)C3CCCC3)C)C

InChI

InChI=1S/C18H24N4O3S/c1-4-25-17(24)15-11(3)19-10(2)14(15)13(23)9-26-18-20-16(21-22-18)12-7-5-6-8-12/h12,19H,4-9H2,1-3H3,(H,20,21,22)