(E)-3-azanyl-2-cyano-N-(4-methylphenyl)but-2-enethioamide

Systemtic Name: (E)-3-azanyl-2-cyano-N-(4-methylphenyl)but-2-enethioamide Openeye Name: (E)-3-amino-2-cyano-N-(p-tolyl)but-2-enethioamide CAS Name: (E)-3-amino-2-cyano-N-(4-methylphenyl)-2-butenethioamide IUPAC Name: (E)-3-amino-2-cyano-N-(4-methylphenyl)but-2-enethioamide Traditional Name: (E)-3-amino-2-cyano-N-(p-tolyl)but-2-enethioamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C12H13N3S/c1-8-3-5-10(6-4-8)15-12(16)11(7-13)9(2)14/h3-6H,14H2,1-2H3,(H,15,16)/b11-9+