S-phenylsulfanyl 4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazole-1-carbothioate

Systemtic Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazole-1-carbothioate Openeye Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-(4-pyridyl)triazole-1-carbothioate CAS Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-1-triazolecarbothioic acid S-(phenylthio) ester IUPAC Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-pyridin-4-yltriazole-1-carbothioate Traditional Name: 4-(4-fluorophenyl)-5-(4-pyridyl)triazole-1-carbothioic acid S-(phenylthio) ester Formula: C20H13FN4OS2 MolecularWeight: 408.471823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SSC(=O)N2C(=C(N=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SSC(=O)N2C(=C(N=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C20H13FN4OS2/c21-16-8-6-14(7-9-16)18-19(15-10-12-22-13-11-15)25(24-23-18)20(26)28-27-17-4-2-1-3-5-17/h1-13H