1-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]-2-pyrrolidone Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C22H21N5O2S/c28-19(15-5-7-17(8-6-15)26-12-2-4-20(26)29)14-30-22-25-24-21(27(22)18-9-10-18)16-3-1-11-23-13-16/h1,3,5-8,11,13,18H,2,4,9-10,12,14H2