2-[[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-methylene]propanedinitrile CAS Name: 2-[[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]methylene]malononitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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