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

Systemtic Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C11H9ClN4S MolecularWeight: 264.73396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCCC#N

InChI

InChI=1S/C11H9ClN4S/c12-9-3-1-4-10(7-9)16-8-14-15-11(16)17-6-2-5-13/h1,3-4,7-8H,2,6H2