3-[1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one

Systemtic Name: 3-[1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-bromophenyl)-2-isobutylsulfanyl-imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-bromophenyl)-2-(2-methylpropylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-bromophenyl)-2-(isobutylthio)imidazol-4-yl]coumarin Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=CN1C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)CSC1=NC(=CN1C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H19BrN2O2S/c1-14(2)13-28-22-24-19(12-25(22)17-9-7-16(23)8-10-17)18-11-15-5-3-4-6-20(15)27-21(18)26/h3-12,14H,13H2,1-2H3