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

Systemtic Name: 7-bromanyl-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]-7-bromo-chromen-2-one CAS Name: 7-bromo-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]-7-bromochromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]methyl]-7-bromo-coumarin Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O2S/c1-13-18(9-14-5-3-2-4-6-14)24-21(23-13)27-12-15-10-20(25)26-19-11-16(22)7-8-17(15)19/h2-8,10-11H,9,12H2,1H3,(H,23,24)