3-phenylazanyl-2-piperidin-1-ylcarbonyl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: 3-phenylazanyl-2-piperidin-1-ylcarbonyl-3-sulfanyl-prop-2-enenitrile Openeye Name: 3-anilino-2-(piperidine-1-carbonyl)-3-sulfanyl-prop-2-enenitrile CAS Name: 3-anilino-3-mercapto-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-anilino-2-(piperidine-1-carbonyl)-3-sulfanylprop-2-enenitrile Traditional Name: 3-anilino-3-mercapto-2-(piperidine-1-carbonyl)acrylonitrile Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C(NC2=CC=CC=C2)S)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(=C(NC2=CC=CC=C2)S)C#N

InChI

InChI=1S/C15H17N3OS/c16-11-13(15(19)18-9-5-2-6-10-18)14(20)17-12-7-3-1-4-8-12/h1,3-4,7-8,17,20H,2,5-6,9-10H2