4-[(3-azanylpyridin-4-yl)sulfanylmethyl]-7-bromanyl-chromen-2-one

Systemtic Name: 4-[(3-azanylpyridin-4-yl)sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[(3-amino-4-pyridyl)sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[(3-amino-4-pyridinyl)thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[(3-aminopyridin-4-yl)sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[(3-amino-4-pyridyl)thio]methyl]-7-bromo-coumarin Formula: C15H11BrN2O2S MolecularWeight: 363.22904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=C(C=NC=C3)N

InChI

InChI=1S/C15H11BrN2O2S/c16-10-1-2-11-9(5-15(19)20-13(11)6-10)8-21-14-3-4-18-7-12(14)17/h1-7H,8,17H2