4-[4-(4-bromophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-bromophenyl)sulfanyl-1-pyridin-3-yl-pyrazol-3-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-bromophenyl)sulfanyl-1-(3-pyridyl)pyrazol-3-yl]benzonitrile CAS Name: 4-[4-[(4-bromophenyl)thio]-1-(3-pyridinyl)-3-pyrazolyl]benzonitrile IUPAC Name: 4-[4-(4-bromophenyl)sulfanyl-1-pyridin-3-ylpyrazol-3-yl]benzonitrile Traditional Name: 4-[4-[(4-bromophenyl)thio]-1-(3-pyridyl)pyrazol-3-yl]benzonitrile Formula: C21H13BrN4S MolecularWeight: 433.32372

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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=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN4S/c22-17-7-9-19(10-8-17)27-20-14-26(18-2-1-11-24-13-18)25-21(20)16-5-3-15(12-23)4-6-16/h1-11,13-14H