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

Systemtic Name: 3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H11ClN4S MolecularWeight: 278.76054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2Cl

Isomeric SMILES

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H11ClN4S/c1-17-11(9-5-2-3-6-10(9)13)15-16-12(17)18-8-4-7-14/h2-3,5-6H,4,8H2,1H3