1-(4-bromophenyl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(1-cyclohexyltetrazol-5-yl)thio]propan-1-one Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C16H19BrN4OS/c1-11(15(22)12-7-9-13(17)10-8-12)23-16-18-19-20-21(16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3