4,6-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[(4-pyrazol-1-ylbenzyl)thio]nicotinonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C18H16N4S/c1-13-10-14(2)21-18(17(13)11-19)23-12-15-4-6-16(7-5-15)22-9-3-8-20-22/h3-10H,12H2,1-2H3