4-[4-(5-chloranylpyridin-2-yl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-chloranylpyridin-2-yl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 4-[4-[(5-chloro-2-pyridyl)sulfanyl]-1-(3-pyridyl)pyrazol-3-yl]benzonitrile CAS Name: 4-[4-[(5-chloro-2-pyridinyl)thio]-1-(3-pyridinyl)-3-pyrazolyl]benzonitrile IUPAC Name: 4-[4-(5-chloropyridin-2-yl)sulfanyl-1-pyridin-3-ylpyrazol-3-yl]benzonitrile Traditional Name: 4-[4-[(5-chloro-2-pyridyl)thio]-1-(3-pyridyl)pyrazol-3-yl]benzonitrile Formula: C20H12ClN5S MolecularWeight: 389.86078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12ClN5S/c21-16-7-8-19(24-11-16)27-18-13-26(17-2-1-9-23-12-17)25-20(18)15-5-3-14(10-22)4-6-15/h1-9,11-13H