6,7-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6,7-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)chromen-2-one Openeye Name: 6,7-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)chromen-2-one Traditional Name: 6,7-dimethyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]coumarin Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C4N3C=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C4N3C=CC=C4)C

InChI

InChI=1S/C18H15N3O2S/c1-11-7-14-13(9-17(22)23-15(14)8-12(11)2)10-24-18-20-19-16-5-3-4-6-21(16)18/h3-9H,10H2,1-2H3