4-methyl-3-[(2-methylphenyl)-phenyl-methyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(2-methylphenyl)-phenyl-methyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-[o-tolyl(phenyl)methyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[(2-methylphenyl)-phenylmethyl]thio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(2-methylphenyl)-phenylmethyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-[[o-tolyl(phenyl)methyl]thio]-5-(trifluoromethyl)-1,2,4-triazole Formula: C18H16F3N3S MolecularWeight: 363.39995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)SC3=NN=C(N3C)C(F)(F)F

InChI

InChI=1S/C18H16F3N3S/c1-12-8-6-7-11-14(12)15(13-9-4-3-5-10-13)25-17-23-22-16(24(17)2)18(19,20)21/h3-11,15H,1-2H3