(Z)-3-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)but-2-enenitrile

Systemtic Name: (Z)-3-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)but-2-enenitrile Openeye Name: (Z)-3-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)but-2-enenitrile CAS Name: (Z)-3-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]-2-butenenitrile IUPAC Name: (Z)-3-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-2-yl)but-2-enenitrile Traditional Name: (Z)-3-[5,5-dimethyl-8-(phenylthio)-6H-naphthalen-2-yl]but-2-enenitrile Formula: C22H21NS MolecularWeight: 331.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)C1=CC2=C(C=C1)C(CC=C2SC3=CC=CC=C3)(C)C

Isomeric SMILES

C/C(=C/C#N)/C1=CC2=C(C=C1)C(CC=C2SC3=CC=CC=C3)(C)C

InChI

InChI=1S/C22H21NS/c1-16(12-14-23)17-9-10-20-19(15-17)21(11-13-22(20,2)3)24-18-7-5-4-6-8-18/h4-12,15H,13H2,1-3H3/b16-12-