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

Systemtic Name: 3-(4,5-dimethylthiophen-3-yl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4,5-dimethyl-3-thienyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4,5-dimethyl-3-thiophenyl)-5-[(4-fluorophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4,5-dimethylthiophen-3-yl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4,5-dimethyl-3-thienyl)-5-[(4-fluorobenzyl)thio]-4-methyl-1,2,4-triazole Formula: C16H16FN3S2 MolecularWeight: 333.446743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C16H16FN3S2/c1-10-11(2)21-9-14(10)15-18-19-16(20(15)3)22-8-12-4-6-13(17)7-5-12/h4-7,9H,8H2,1-3H3