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

Systemtic Name: 1-(phenylcarbonyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 1-benzoyl-3-(1-phenyltetrazol-5-yl)sulfanyl-azepan-2-one CAS Name: 1-benzoyl-3-[(1-phenyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 1-benzoyl-3-(1-phenyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 1-benzoyl-3-[(1-phenyltetrazol-5-yl)thio]azepan-2-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c26-18(15-9-3-1-4-10-15)24-14-8-7-13-17(19(24)27)28-20-21-22-23-25(20)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2