3-[4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(4-chlorophenyl)thio]-5-methyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-1-yl]propionitrile Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC#N)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=NN1CCC#N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3S/c1-10-13(9-16-17(10)8-2-7-15)18-12-5-3-11(14)4-6-12/h3-6,9H,2,8H2,1H3