(E)-2-cyclopropylcarbonyl-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile

Systemtic Name: (E)-2-cyclopropylcarbonyl-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Openeye Name: (E)-2-(cyclopropanecarbonyl)-3-methylsulfanyl-3-(3-pyridylmethylamino)prop-2-enenitrile CAS Name: (E)-2-[cyclopropyl(oxo)methyl]-3-(methylthio)-3-(3-pyridinylmethylamino)-2-propenenitrile IUPAC Name: (E)-2-(cyclopropanecarbonyl)-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Traditional Name: (E)-2-(cyclopropanecarbonyl)-3-(methylthio)-3-(3-pyridylmethylamino)acrylonitrile Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)C1CC1)NCC2=CN=CC=C2

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)C1CC1)/NCC2=CN=CC=C2

InChI

InChI=1S/C14H15N3OS/c1-19-14(12(7-15)13(18)11-4-5-11)17-9-10-3-2-6-16-8-10/h2-3,6,8,11,17H,4-5,9H2,1H3/b14-12+