2-[2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonyl-3-chloranyl-cyclohex-2-en-1-one

Systemtic Name: 2-[2-bromanyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonyl-3-chloranyl-cyclohex-2-en-1-one Openeye Name: 2-[2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-chloro-cyclohex-2-en-1-one CAS Name: 2-[[2-bromo-4-[[(1-methyl-5-tetrazolyl)thio]methyl]phenyl]-oxomethyl]-3-chloro-1-cyclohex-2-enone IUPAC Name: 2-[2-bromo-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-chlorocyclohex-2-en-1-one Traditional Name: 2-[2-bromo-4-[[(1-methyltetrazol-5-yl)thio]methyl]benzoyl]-3-chloro-cyclohex-2-en-1-one Formula: C16H14BrClN4O2S MolecularWeight: 441.72996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)C3=C(CCCC3=O)Cl)Br

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)C3=C(CCCC3=O)Cl)Br

InChI

InChI=1S/C16H14BrClN4O2S/c1-22-16(19-20-21-22)25-8-9-5-6-10(11(17)7-9)15(24)14-12(18)3-2-4-13(14)23/h5-7H,2-4,8H2,1H3