2-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(1-pyrazolyl)phenyl]methylthio]methyl]benzonitrile IUPAC Name: 2-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-pyrazol-1-ylbenzyl)thio]methyl]benzonitrile Formula: C18H15N3S MolecularWeight: 305.3968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC2=CC=C(C=C2)N3C=CC=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCC2=CC=C(C=C2)N3C=CC=N3)C#N

InChI

InChI=1S/C18H15N3S/c19-12-16-4-1-2-5-17(16)14-22-13-15-6-8-18(9-7-15)21-11-3-10-20-21/h1-11H,13-14H2