3-[[4-[(Z)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(Z)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-[(Z)-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[(Z)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[(Z)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[(Z)-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methyl-anilino]propionitrile Formula: C19H17FN6S MolecularWeight: 380.441883

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)/C=N\N2C(=NNC2=S)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN6S/c1-25(12-2-11-21)17-9-3-14(4-10-17)13-22-26-18(23-24-19(26)27)15-5-7-16(20)8-6-15/h3-10,13H,2,12H2,1H3,(H,24,27)/b22-13-