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

Systemtic Name: 3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C16H19N5OS/c22-15-13(3-1-2-8-18-15)23-16-20-19-14(21(16)12-4-5-12)11-6-9-17-10-7-11/h6-7,9-10,12-13H,1-5,8H2,(H,18,22)