2,6-bis[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 2,6-bis[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 2,6-bis[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 2,6-bis[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 2,6-bis[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 2,6-bis[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C35H25F2N7S2 MolecularWeight: 645.746706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CC=C3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC(=CC=C6)F)C7=CC(=CC=C7)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CC=C3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC(=CC=C6)F)C7=CC(=CC=C7)F

InChI

InChI=1S/C35H25F2N7S2/c36-26-12-7-10-24(20-26)32-39-41-34(43(32)30-16-3-1-4-17-30)45-22-28-14-9-15-29(38-28)23-46-35-42-40-33(25-11-8-13-27(37)21-25)44(35)31-18-5-2-6-19-31/h1-21H,22-23H2