2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-8-sulfanylidene-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4,5-dimethoxy-phenyl)-8-sulfanylidene-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-8-thioxo-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-8-sulfanylidene-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-8-sulfanylidene-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-8-thioxo-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC3=CCC(=S)OC3=C4C2N(C(=N4)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC3=CCC(=S)OC3=C4C2N(C(=N4)N)C#N)Br)OC

InChI

InChI=1S/C19H17BrN4O3S/c1-25-13-7-10(6-12(20)18(13)26-2)11-5-9-3-4-14(28)27-17(9)15-16(11)24(8-21)19(22)23-15/h3,6-7,11,16H,4-5H2,1-2H3,(H2,22,23)