6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(4-chlorophenyl)thio]-1-phenyl-3-pyrazolyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[(4-chlorophenyl)thio]-1-phenyl-pyrazol-3-yl]nicotinonitrile Formula: C21H13ClN4S MolecularWeight: 388.87272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=NC=C(C=C3)C#N)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=NC=C(C=C3)C#N)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN4S/c22-16-7-9-18(10-8-16)27-20-14-26(17-4-2-1-3-5-17)25-21(20)19-11-6-15(12-23)13-24-19/h1-11,13-14H