1-(4-cyclohexylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20(18-13-11-17(12-14-18)16-7-3-1-4-8-16)15-27-21-22-23-24-25(21)19-9-5-2-6-10-19/h2,5-6,9-14,16H,1,3-4,7-8,15H2