4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-[(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-[(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)methyl]-7,8-dimethyl-coumarin Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C5N3N=CC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C5N3N=CC5)C

InChI

InChI=1S/C22H19N3O2S/c1-13-7-8-16-15(11-20(26)27-21(16)14(13)2)12-28-22-24-18-6-4-3-5-17(18)19-9-10-23-25(19)22/h3-8,10-11,19H,9,12H2,1-2H3