3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C18H18FN3S MolecularWeight: 327.419023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3S/c1-12-4-5-13(2)15(10-12)11-23-18-21-20-17(22(18)3)14-6-8-16(19)9-7-14/h4-10H,11H2,1-3H3