3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H13FN4S MolecularWeight: 324.375323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCC#N

InChI

InChI=1S/C17H13FN4S/c18-14-7-9-15(10-8-14)22-16(13-5-2-1-3-6-13)20-21-17(22)23-12-4-11-19/h1-3,5-10H,4,12H2