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

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylcyclohexanone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-1-cyclohexanone IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylcyclohexan-1-one Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]cyclohexanone Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H14N4OS/c18-11-8-4-5-9-12(11)19-13-14-15-16-17(13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2