3-(cyclohexylamino)-3-methylsulfanyl-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(cyclohexylamino)-3-methylsulfanyl-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(cyclohexylamino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(cyclohexylamino)-3-(methylthio)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(cyclohexylamino)-3-methylsulfanylprop-2-enenitrile Traditional Name: 2-besyl-3-(cyclohexylamino)-3-(methylthio)acrylonitrile Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NC2CCCCC2

Isomeric SMILES

CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NC2CCCCC2

InChI

InChI=1S/C16H20N2O2S2/c1-21-16(18-13-8-4-2-5-9-13)15(12-17)22(19,20)14-10-6-3-7-11-14/h3,6-7,10-11,13,18H,2,4-5,8-9H2,1H3