5-(3-chlorophenyl)-3-propylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(3-chlorophenyl)-3-propylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(3-chlorophenyl)-3-propylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(3-chlorophenyl)-3-(propylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(3-chlorophenyl)-3-propylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(3-chlorophenyl)-3-(propylthio)-1H-pyrazole-4-carbonitrile Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=C1C#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCSC1=NNC(=C1C#N)C2=CC(=CC=C2)Cl

InChI

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