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

Systemtic Name: 5-(3-chlorophenyl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(3-chlorophenyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile Formula: C17H12ClN3S MolecularWeight: 325.81528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H12ClN3S/c18-14-8-4-7-13(9-14)16-15(10-19)17(21-20-16)22-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,20,21)