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

Systemtic Name: 2-[4-bromanyl-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonyl-3-chloranyl-cyclohex-2-en-1-one Openeye Name: 2-[4-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-chloro-cyclohex-2-en-1-one CAS Name: 2-[[4-bromo-2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]phenyl]-oxomethyl]-3-chloro-1-cyclohex-2-enone IUPAC Name: 2-[4-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-chlorocyclohex-2-en-1-one Traditional Name: 2-[4-bromo-2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]benzoyl]-3-chloro-cyclohex-2-en-1-one Formula: C18H16BrClN4O2S MolecularWeight: 467.76724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(=O)C2=C(C=C(C=C2)Br)CSC3=NN=NN3C4CC4)Cl

Isomeric SMILES

C1CC(=C(C(=O)C1)C(=O)C2=C(C=C(C=C2)Br)CSC3=NN=NN3C4CC4)Cl

InChI

InChI=1S/C18H16BrClN4O2S/c19-11-4-7-13(17(26)16-14(20)2-1-3-15(16)25)10(8-11)9-27-18-21-22-23-24(18)12-5-6-12/h4,7-8,12H,1-3,5-6,9H2