2-azanyl-4-(4-bromanylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C14H11BrN2O2S MolecularWeight: 351.21834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)Br)C(=O)C1

InChI

InChI=1S/C14H11BrN2O2S/c15-7-4-11(20-6-7)12-8(5-16)14(17)19-10-3-1-2-9(18)13(10)12/h4,6,12H,1-3,17H2