4-(1,3-benzodioxol-5-yl)-2-(2-oxidanylidenepropylsulfanyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(2-oxidanylidenepropylsulfanyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-(1,3-benzodioxol-5-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(2-oxopropylthio)-5H-indeno[1,2-b]pyridine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(2-oxopropylsulfanyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-(1,3-benzodioxol-5-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(CC3=CC=CC=C32)C(=C1C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)CSC1=NC2=C(CC3=CC=CC=C32)C(=C1C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H16N2O3S/c1-13(26)11-29-23-18(10-24)21(15-6-7-19-20(9-15)28-12-27-19)17-8-14-4-2-3-5-16(14)22(17)25-23/h2-7,9H,8,11-12H2,1H3