(Z)-2-(4-chlorophenyl)carbonyl-3-methylsulfanyl-3-(pyridin-4-ylmethylamino)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-chlorophenyl)carbonyl-3-methylsulfanyl-3-(pyridin-4-ylmethylamino)prop-2-enenitrile Openeye Name: (Z)-2-(4-chlorobenzoyl)-3-methylsulfanyl-3-(4-pyridylmethylamino)prop-2-enenitrile CAS Name: (Z)-2-[(4-chlorophenyl)-oxomethyl]-3-(methylthio)-3-(pyridin-4-ylmethylamino)-2-propenenitrile IUPAC Name: (Z)-2-(4-chlorobenzoyl)-3-methylsulfanyl-3-(pyridin-4-ylmethylamino)prop-2-enenitrile Traditional Name: (Z)-2-(4-chlorobenzoyl)-3-(methylthio)-3-(4-pyridylmethylamino)acrylonitrile Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCC2=CC=NC=C2

Isomeric SMILES

CS/C(=C(/C#N)\C(=O)C1=CC=C(C=C1)Cl)/NCC2=CC=NC=C2

InChI

InChI=1S/C17H14ClN3OS/c1-23-17(21-11-12-6-8-20-9-7-12)15(10-19)16(22)13-2-4-14(18)5-3-13/h2-9,21H,11H2,1H3/b17-15-