N-(2-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(o-tolyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: o-tolyl-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H14F3N3S2 MolecularWeight: 381.43837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3S2/c1-11-5-2-3-8-14(11)21-15-22-23-16(25-15)24-10-12-6-4-7-13(9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)