(Z)-4,4-dimethyl-2-[(Z)-3-oxidanylidene-2-phenylsulfanyl-prop-1-enyl]pent-2-enenitrile

Systemtic Name: (Z)-4,4-dimethyl-2-[(Z)-3-oxidanylidene-2-phenylsulfanyl-prop-1-enyl]pent-2-enenitrile Openeye Name: (Z)-4,4-dimethyl-2-[(Z)-3-oxo-2-phenylsulfanyl-prop-1-enyl]pent-2-enenitrile CAS Name: (Z)-4,4-dimethyl-2-[(Z)-3-oxo-2-(phenylthio)prop-1-enyl]-2-pentenenitrile IUPAC Name: (Z)-4,4-dimethyl-2-[(Z)-3-oxo-2-phenylsulfanylprop-1-enyl]pent-2-enenitrile Traditional Name: (Z)-2-[(Z)-3-keto-2-(phenylthio)prop-1-enyl]-4,4-dimethyl-pent-2-enenitrile Formula: C16H17NOS MolecularWeight: 271.37728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=C(C=C(C=O)SC1=CC=CC=C1)C#N

Isomeric SMILES

CC(C)(C)/C=C(/C=C(/C=O)\SC1=CC=CC=C1)\C#N

InChI

InChI=1S/C16H17NOS/c1-16(2,3)10-13(11-17)9-15(12-18)19-14-7-5-4-6-8-14/h4-10,12H,1-3H3/b13-10-,15-9-