5,6-bis[(3,4-dimethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione

Systemtic Name: 5,6-bis[(3,4-dimethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione Openeye Name: 5,6-bis[(3,4-dimethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione CAS Name: 5,6-bis[(3,4-dimethylphenyl)thio]-2-ethyl-1,3-benzoxazole-4,7-dione IUPAC Name: 5,6-bis[(3,4-dimethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione Traditional Name: 5,6-bis[(3,4-dimethylphenyl)thio]-2-ethyl-1,3-benzoxazole-4,7-quinone Formula: C25H23NO3S2 MolecularWeight: 449.58502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(O1)C(=O)C(=C(C2=O)SC3=CC(=C(C=C3)C)C)SC4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=NC2=C(O1)C(=O)C(=C(C2=O)SC3=CC(=C(C=C3)C)C)SC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H23NO3S2/c1-6-19-26-20-21(27)24(30-17-9-7-13(2)15(4)11-17)25(22(28)23(20)29-19)31-18-10-8-14(3)16(5)12-18/h7-12H,6H2,1-5H3