3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene Openeye Name: 3-(p-tolylmethylsulfanyl)-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene CAS Name: 3-[(4-methylphenyl)methylthio]-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene Traditional Name: 3-[(4-methylbenzyl)thio]-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene Formula: C11H9F3N3S- MolecularWeight: 272.26947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C([N-]2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C([N-]2)C(F)(F)F

InChI

InChI=1S/C11H9F3N3S/c1-7-2-4-8(5-3-7)6-18-10-15-9(16-17-10)11(12,13)14/h2-5H,6H2,1H3/q-1