(E)-3-(2-oxidanylidenepropylsulfanyl)-3-phenylazanyl-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-oxidanylidenepropylsulfanyl)-3-phenylazanyl-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-acetonylsulfanyl-3-anilino-2-(benzenesulfonyl)prop-2-enenitrile CAS Name: (E)-3-anilino-2-(benzenesulfonyl)-3-(2-oxopropylthio)-2-propenenitrile IUPAC Name: (E)-3-anilino-2-(benzenesulfonyl)-3-(2-oxopropylsulfanyl)prop-2-enenitrile Traditional Name: (E)-3-(acetonylthio)-3-anilino-2-besyl-acrylonitrile Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)CS/C(=C(\C#N)/S(=O)(=O)C1=CC=CC=C1)/NC2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3S2/c1-14(21)13-24-18(20-15-8-4-2-5-9-15)17(12-19)25(22,23)16-10-6-3-7-11-16/h2-11,20H,13H2,1H3/b18-17+