4-[(6-azanylpyridin-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[(6-azanylpyridin-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(6-amino-3-pyridyl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(6-amino-3-pyridinyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(6-aminopyridin-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(6-amino-3-pyridyl)thio]methyl]-7-methyl-coumarin Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CN=C(C=C3)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CN=C(C=C3)N

InChI

InChI=1S/C16H14N2O2S/c1-10-2-4-13-11(7-16(19)20-14(13)6-10)9-21-12-3-5-15(17)18-8-12/h2-8H,9H2,1H3,(H2,17,18)