2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-methylene]propanedinitrile CAS Name: 2-[[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]methylene]malononitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NCC=C

InChI

InChI=1S/C16H15N3O2S/c1-3-8-19-16(13(9-17)10-18)22-11-15(20)12-4-6-14(21-2)7-5-12/h3-7,19H,1,8,11H2,2H3