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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C#N

InChI

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