4-[2-(4-phenylsulfanylphenyl)-3,4-dihydropyrazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-phenylsulfanylphenyl)-3,4-dihydropyrazol-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-phenylsulfanylphenyl)-3,4-dihydropyrazol-5-yl]benzonitrile CAS Name: 4-[2-[4-(phenylthio)phenyl]-3,4-dihydropyrazol-5-yl]benzonitrile IUPAC Name: 4-[2-(4-phenylsulfanylphenyl)-3,4-dihydropyrazol-5-yl]benzonitrile Traditional Name: 4-[1-[4-(phenylthio)phenyl]-2-pyrazolin-3-yl]benzonitrile Formula: C22H17N3S MolecularWeight: 355.45548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(N=C1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H17N3S/c23-16-17-6-8-18(9-7-17)22-14-15-25(24-22)19-10-12-21(13-11-19)26-20-4-2-1-3-5-20/h1-13H,14-15H2