3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-(p-tolylsulfanylmethyl)phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-[[(4-methylphenyl)thio]methyl]phenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[4-methoxy-3-[(p-tolylthio)methyl]phenyl]acrylonitrile Formula: C24H21NO3S2 MolecularWeight: 435.55844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H21NO3S2/c1-18-8-11-21(12-9-18)29-17-20-14-19(10-13-24(20)28-2)15-23(16-25)30(26,27)22-6-4-3-5-7-22/h3-15H,17H2,1-2H3