7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methyl-4-[(1H-perimidin-2-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-methyl-4-[(1H-perimidin-2-ylthio)methyl]coumarin Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C22H16N2O2S/c1-13-8-9-16-15(11-20(25)26-19(16)10-13)12-27-22-23-17-6-2-4-14-5-3-7-18(24-22)21(14)17/h2-11H,12H2,1H3,(H,23,24)