1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-3,5-bis(trifluoromethyl)benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-3,5-bis(trifluoromethyl)benzene Openeye Name: 1-[isocyano(p-tolylsulfanyl)methyl]-3,5-bis(trifluoromethyl)benzene CAS Name: 1-[isocyano-[(4-methylphenyl)thio]methyl]-3,5-bis(trifluoromethyl)benzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfanylmethyl]-3,5-bis(trifluoromethyl)benzene Traditional Name: 1-[isocyano-(p-tolylthio)methyl]-3,5-bis(trifluoromethyl)benzene Formula: C17H11F6NS MolecularWeight: 375.331359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+]#[C-]

InChI

InChI=1S/C17H11F6NS/c1-10-3-5-14(6-4-10)25-15(24-2)11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h3-9,15H,1H3