3-(3-fluorophenyl)-4-(2-methylpropyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-fluorophenyl)-4-(2-methylpropyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-fluorophenyl)-4-isobutyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-fluorophenyl)-4-(2-methylpropyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(3-fluorophenyl)-4-(2-methylpropyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-fluorophenyl)-4-isobutyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C23H22FN3S MolecularWeight: 391.504283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H22FN3S/c1-16(2)14-27-22(18-9-6-11-20(24)13-18)25-26-23(27)28-15-19-10-5-8-17-7-3-4-12-21(17)19/h3-13,16H,14-15H2,1-2H3