7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methyl-4-[(1H-perimidin-2-ylthio)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(1H-perimidin-2-ylthio)methyl]coumarin Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)C(C)C

InChI

InChI=1S/C25H22N2O2S/c1-14(2)18-12-19-17(11-23(28)29-22(19)10-15(18)3)13-30-25-26-20-8-4-6-16-7-5-9-21(27-25)24(16)20/h4-12,14H,13H2,1-3H3,(H,26,27)