4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-prop-2-enylbenzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC=C

InChI

InChI=1S/C21H19N3O2S/c1-3-14-22-21(26)16-6-8-17(9-7-16)24-20(25)13-12-19(23-24)27-18-10-4-15(2)5-11-18/h3-13H,1,14H2,2H3,(H,22,26)