[4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C22H23N5OS/c28-21(26-12-1-2-13-26)17-7-5-16(6-8-17)15-29-22-25-24-20(27(22)19-9-10-19)18-4-3-11-23-14-18/h3-8,11,14,19H,1-2,9-10,12-13,15H2