4-(4-chloranyl-2-methyl-phenyl)-3-nitro-1-(propan-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile

Systemtic Name: 4-(4-chloranyl-2-methyl-phenyl)-3-nitro-1-(propan-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile Openeye Name: 4-(4-chloro-2-methyl-phenyl)-1-(isopropylsulfanylmethyl)-3-nitro-5-(trifluoromethyl)pyrrole-2-carbonitrile CAS Name: 4-(4-chloro-2-methylphenyl)-3-nitro-1-[(propan-2-ylthio)methyl]-5-(trifluoromethyl)-2-pyrrolecarbonitrile IUPAC Name: 4-(4-chloro-2-methylphenyl)-3-nitro-1-(propan-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyrrole-2-carbonitrile Traditional Name: 4-(4-chloro-2-methyl-phenyl)-1-[(isopropylthio)methyl]-3-nitro-5-(trifluoromethyl)pyrrole-2-carbonitrile Formula: C17H15ClF3N3O2S MolecularWeight: 417.83311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C2=C(N(C(=C2[N+](=O)[O-])C#N)CSC(C)C)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C2=C(N(C(=C2[N+](=O)[O-])C#N)CSC(C)C)C(F)(F)F

InChI

InChI=1S/C17H15ClF3N3O2S/c1-9(2)27-8-23-13(7-22)15(24(25)26)14(16(23)17(19,20)21)12-5-4-11(18)6-10(12)3/h4-6,9H,8H2,1-3H3