8-azanyl-6-(3-bromanyl-4,5-dimethoxy-phenyl)-2-sulfanylidene-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile

Systemtic Name: 8-azanyl-6-(3-bromanyl-4,5-dimethoxy-phenyl)-2-sulfanylidene-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile Openeye Name: 8-amino-6-(3-bromo-4,5-dimethoxy-phenyl)-2-thioxo-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile CAS Name: 8-amino-6-(3-bromo-4,5-dimethoxyphenyl)-2-sulfanylidene-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile IUPAC Name: 8-amino-6-(3-bromo-4,5-dimethoxyphenyl)-2-sulfanylidene-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile Traditional Name: 8-amino-6-(3-bromo-4,5-dimethoxy-phenyl)-2-thioxo-3,6-dihydro-1H-pyrano[2,3-e]benzimidazole-7-carbonitrile Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC(=S)N4)OC(=C2C#N)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=C(C=C3)NC(=S)N4)OC(=C2C#N)N)Br)OC

InChI

InChI=1S/C19H15BrN4O3S/c1-25-13-6-8(5-11(20)17(13)26-2)14-9-3-4-12-15(24-19(28)23-12)16(9)27-18(22)10(14)7-21/h3-6,14H,22H2,1-2H3,(H2,23,24,28)