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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(1-phenyl-5-tetrazolyl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-(1-phenyltetrazol-5-yl)sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(1-phenyltetrazol-5-yl)thio]azepan-2-one Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O2S/c21-15-11-9-14(10-12-15)18(27)25-13-5-4-8-17(19(25)28)29-20-22-23-24-26(20)16-6-2-1-3-7-16/h1-3,6-7,9-12,17H,4-5,8,13H2