2-(2-methylphenyl)-N-(1-methylsulfanyl-4-oxidanylidene-pentan-3-yl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide

Systemtic Name: 2-(2-methylphenyl)-N-(1-methylsulfanyl-4-oxidanylidene-pentan-3-yl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Openeye Name: N-[1-(2-methylsulfanylethyl)-2-oxo-propyl]-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide CAS Name: 2-(2-methylphenyl)-N-[1-(methylthio)-4-oxopentan-3-yl]-4-[(E)-2-(3-pyridinyl)ethenyl]benzamide IUPAC Name: 2-(2-methylphenyl)-N-(1-methylsulfanyl-4-oxopentan-3-yl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Traditional Name: N-[2-keto-1-[2-(methylthio)ethyl]propyl]-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)C

InChI

InChI=1S/C27H28N2O2S/c1-19-7-4-5-9-23(19)25-17-21(10-11-22-8-6-15-28-18-22)12-13-24(25)27(31)29-26(20(2)30)14-16-32-3/h4-13,15,17-18,26H,14,16H2,1-3H3,(H,29,31)/b11-10+