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

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]carbonyl-3-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 2-[2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]phenyl]-oxomethyl]-3-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 2-[2-chloro-4-mesyl-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzoyl]-3-(phenylthio)cyclohex-2-en-1-one Formula: C23H21ClN4O4S3 MolecularWeight: 549.08524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C23H21ClN4O4S3/c1-28-23(25-26-27-28)33-13-16-19(35(2,31)32)12-11-15(21(16)24)22(30)20-17(29)9-6-10-18(20)34-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3