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

Systemtic Name: 5,6-bis[(3,4-diethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione Openeye Name: 5,6-bis[(3,4-diethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione CAS Name: 5,6-bis[(3,4-diethylphenyl)thio]-2-ethyl-1,3-benzoxazole-4,7-dione IUPAC Name: 5,6-bis[(3,4-diethylphenyl)sulfanyl]-2-ethyl-1,3-benzoxazole-4,7-dione Traditional Name: 5,6-bis[(3,4-diethylphenyl)thio]-2-ethyl-1,3-benzoxazole-4,7-quinone Formula: C29H31NO3S2 MolecularWeight: 505.69134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)SC2=C(C(=O)C3=C(C2=O)N=C(O3)CC)SC4=CC(=C(C=C4)CC)CC)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)SC2=C(C(=O)C3=C(C2=O)N=C(O3)CC)SC4=CC(=C(C=C4)CC)CC)CC

InChI

InChI=1S/C29H31NO3S2/c1-6-17-11-13-21(15-19(17)8-3)34-28-25(31)24-27(33-23(10-5)30-24)26(32)29(28)35-22-14-12-18(7-2)20(9-4)16-22/h11-16H,6-10H2,1-5H3