4-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)butan-1-one

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)butan-1-one Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)butan-1-one CAS Name: 4-(1,3-benzoxazol-2-ylthio)-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)butan-1-one Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-1-(4-bromophenyl)butan-1-one Formula: C17H14BrNO2S MolecularWeight: 376.26756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrNO2S/c18-13-9-7-12(8-10-13)15(20)5-3-11-22-17-19-14-4-1-2-6-16(14)21-17/h1-2,4,6-10H,3,5,11H2