6,7-dimethoxy-4-[(7-methylsulfanyl-1,3-benzodioxol-4-yl)amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-4-[(7-methylsulfanyl-1,3-benzodioxol-4-yl)amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[(7-methylsulfanyl-1,3-benzodioxol-4-yl)amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-(methylthio)-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[(7-methylsulfanyl-1,3-benzodioxol-4-yl)amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-(methylthio)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)SC)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)SC)OCO4)OC

InChI

InChI=1S/C20H17N3O4S/c1-24-15-6-12-14(7-16(15)25-2)22-9-11(8-21)18(12)23-13-4-5-17(28-3)20-19(13)26-10-27-20/h4-7,9H,10H2,1-3H3,(H,22,23)