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

Systemtic Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SC4CCCCNC4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SC4CCCCNC4=O

InChI

InChI=1S/C19H25N5OS/c25-17-16(11-5-6-12-20-17)26-19-22-21-18(23-13-7-2-8-14-23)24(19)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,20,25)