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

Systemtic Name: 4-[(3-azanylpyridin-4-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(3-amino-4-pyridyl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(3-amino-4-pyridinyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(3-aminopyridin-4-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(3-amino-4-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=C(C=NC=C3)N

Isomeric SMILES

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

InChI

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