3-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[4-(3-chloro-4-fluoro-phenyl)-3-(2,4-dichlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[4-(3-chloro-4-fluoro-phenyl)-3-(2,4-dichlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propionitrile Formula: C19H15Cl3FN5S MolecularWeight: 470.778303

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CN1C(=S)N(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(CCC#N)CN1C(=S)N(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H15Cl3FN5S/c1-26(8-2-7-24)11-27-19(29)28(13-4-6-17(23)16(22)10-13)18(25-27)14-5-3-12(20)9-15(14)21/h3-6,9-10H,2,8,11H2,1H3