5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine

Systemtic Name: 5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine Openeye Name: 3-phenyl-5-(p-tolylmethylsulfanyl)-6-(trifluoromethyl)-1,2,4-triazine CAS Name: 5-[(4-methylphenyl)methylthio]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine IUPAC Name: 5-[(4-methylphenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine Traditional Name: 5-[(4-methylbenzyl)thio]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine Formula: C18H14F3N3S MolecularWeight: 361.38407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(N=NC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3S/c1-12-7-9-13(10-8-12)11-25-17-15(18(19,20)21)23-24-16(22-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3