6,7-dimethyl-4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(N3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC(=C(N3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H22N2O2S/c1-14-9-19-18(12-22(26)27-21(19)10-15(14)2)13-28-23-24-16(3)20(25-23)11-17-7-5-4-6-8-17/h4-10,12H,11,13H2,1-3H3,(H,24,25)