9-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C5=NN=C(S5)N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C5=NN=C(S5)N)C(=O)C1)C

InChI

InChI=1S/C25H27N3O3S/c1-24(2)9-15(29)20-17(11-24)31-18-12-25(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-27-28-23(26)32-22/h5-8,19H,9-12H2,1-4H3,(H2,26,28)