N-(4-methylphenyl)-2-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-(p-tolyl)acetamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C22H24N6O2S/c1-16-4-6-18(7-5-16)24-19(29)14-28-22(31-15-20(30)27-12-2-3-13-27)25-21(26-28)17-8-10-23-11-9-17/h4-11H,2-3,12-15H2,1H3,(H,24,29)