3-[(5-chloranylpyridin-2-yl)amino]-2-[3-(phenylsulfanylmethyl)phenyl]carbonyl-prop-2-enenitrile

Systemtic Name: 3-[(5-chloranylpyridin-2-yl)amino]-2-[3-(phenylsulfanylmethyl)phenyl]carbonyl-prop-2-enenitrile Openeye Name: 3-[(5-chloro-2-pyridyl)amino]-2-[3-(phenylsulfanylmethyl)benzoyl]prop-2-enenitrile CAS Name: 3-[(5-chloro-2-pyridinyl)amino]-2-[oxo-[3-[(phenylthio)methyl]phenyl]methyl]-2-propenenitrile IUPAC Name: 3-[(5-chloropyridin-2-yl)amino]-2-[3-(phenylsulfanylmethyl)benzoyl]prop-2-enenitrile Traditional Name: 3-[(5-chloro-2-pyridyl)amino]-2-[3-[(phenylthio)methyl]benzoyl]acrylonitrile Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)C(=CNC3=NC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)C(=CNC3=NC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H16ClN3OS/c23-19-9-10-21(26-14-19)25-13-18(12-24)22(27)17-6-4-5-16(11-17)15-28-20-7-2-1-3-8-20/h1-11,13-14H,15H2,(H,25,26)