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

Systemtic Name: 3-chloranyl-2-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-nitro-phenyl]carbonyl-cyclohex-2-en-1-one Openeye Name: 3-chloro-2-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-nitro-benzoyl]cyclohex-2-en-1-one CAS Name: 3-chloro-2-[[4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-nitrophenyl]-oxomethyl]-1-cyclohex-2-enone IUPAC Name: 3-chloro-2-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-nitrobenzoyl]cyclohex-2-en-1-one Traditional Name: 3-chloro-2-[4-[[(1-methyltetrazol-5-yl)thio]methyl]-2-nitro-benzoyl]cyclohex-2-en-1-one Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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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)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)C3=C(CCCC3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O4S/c1-21-16(18-19-20-21)27-8-9-5-6-10(12(7-9)22(25)26)15(24)14-11(17)3-2-4-13(14)23/h5-7H,2-4,8H2,1H3