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

Systemtic Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H29N5OS/c27-19(24-13-7-1-2-8-14-24)17-28-21-23-22-20(25-15-9-4-10-16-25)26(21)18-11-5-3-6-12-18/h3,5-6,11-12H,1-2,4,7-10,13-17H2