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

Systemtic Name: 5,5-dimethyl-3-[(2-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-(2-phenyltetrazol-5-yl)sulfanyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[(2-phenyl-5-tetrazolyl)thio]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-(2-phenyltetrazol-5-yl)sulfanylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-[(2-phenyltetrazol-5-yl)thio]cyclohex-2-en-1-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)SC2=NN(N=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)SC2=NN(N=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4OS/c1-15(2)9-12(20)8-13(10-15)21-14-16-18-19(17-14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3