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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H13ClN4S MolecularWeight: 292.78712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4S/c1-2-18-12(10-4-6-11(14)7-5-10)16-17-13(18)19-9-3-8-15/h4-7H,2-3,9H2,1H3