4-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethylphenyl)-3-[[(2-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethylphenyl)-3-[[(2-fluorobenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C18H18FN3S2 MolecularWeight: 359.484023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3F)C

InChI

InChI=1S/C18H18FN3S2/c1-12-7-8-15(9-13(12)2)22-17(20-21-18(22)23)11-24-10-14-5-3-4-6-16(14)19/h3-9H,10-11H2,1-2H3,(H,21,23)