(E)-3-methylsulfanyl-3-[(phenylmethyl)amino]-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: (E)-3-methylsulfanyl-3-[(phenylmethyl)amino]-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: (E)-3-(benzylamino)-3-methylsulfanyl-2-(2-pyridyl)prop-2-enenitrile CAS Name: (E)-3-(methylthio)-3-[(phenylmethyl)amino]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: (E)-3-(benzylamino)-3-methylsulfanyl-2-pyridin-2-ylprop-2-enenitrile Traditional Name: (E)-3-(benzylamino)-3-(methylthio)-2-(2-pyridyl)acrylonitrile Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C1=CC=CC=N1)NCC2=CC=CC=C2

Isomeric SMILES

CS/C(=C(/C#N)\C1=CC=CC=N1)/NCC2=CC=CC=C2

InChI

InChI=1S/C16H15N3S/c1-20-16(19-12-13-7-3-2-4-8-13)14(11-17)15-9-5-6-10-18-15/h2-10,19H,12H2,1H3/b16-14-