(E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(methylthio)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanylprop-2-enenitrile Traditional Name: (E)-2-besyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(methylthio)acrylonitrile Formula: C17H20N4O2S3 MolecularWeight: 408.5613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C(/C#N)\S(=O)(=O)C2=CC=CC=C2)/SC

InChI

InChI=1S/C17H20N4O2S3/c1-13-15(21-12-20-13)11-25-9-8-19-17(24-2)16(10-18)26(22,23)14-6-4-3-5-7-14/h3-7,12,19H,8-9,11H2,1-2H3,(H,20,21)/b17-16+