1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]sulfanyl]anthracene-9,10-dione CAS Name: 1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]thio]anthracene-9,10-dione IUPAC Name: 1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,5-bis[[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]thio]-9,10-anthraquinone Formula: C22H18N6O4S2 MolecularWeight: 494.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NN(C=N3)CCO)C(=O)C4=C(C2=O)C(=CC=C4)SC5=NN(C=N5)CCO

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NN(C=N3)CCO)C(=O)C4=C(C2=O)C(=CC=C4)SC5=NN(C=N5)CCO

InChI

InChI=1S/C22H18N6O4S2/c29-9-7-27-11-23-21(25-27)33-15-5-1-3-13-17(15)20(32)14-4-2-6-16(18(14)19(13)31)34-22-24-12-28(26-22)8-10-30/h1-6,11-12,29-30H,7-10H2