3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H12Cl2N4S MolecularWeight: 327.23218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H12Cl2N4S/c1-2-19-12(10-5-4-9(14)8-11(10)15)17-18-13(19)20-7-3-6-16/h4-5,8H,2-3,7H2,1H3