1-azanyl-2,4-bis(1H-1,2,4-triazol-5-ylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-2,4-bis(1H-1,2,4-triazol-5-ylsulfanyl)anthracene-9,10-dione Openeye Name: 1-amino-2,4-bis(1H-1,2,4-triazol-5-ylsulfanyl)anthracene-9,10-dione CAS Name: 1-amino-2,4-bis(1H-1,2,4-triazol-5-ylthio)anthracene-9,10-dione IUPAC Name: 1-amino-2,4-bis(1H-1,2,4-triazol-5-ylsulfanyl)anthracene-9,10-dione Traditional Name: 1-amino-2,4-bis(1H-1,2,4-triazol-5-ylthio)-9,10-anthraquinone Formula: C18H11N7O2S2 MolecularWeight: 421.45564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC=NN4)SC5=NC=NN5)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC=NN4)SC5=NC=NN5)N

InChI

InChI=1S/C18H11N7O2S2/c19-14-11(29-18-21-7-23-25-18)5-10(28-17-20-6-22-24-17)12-13(14)16(27)9-4-2-1-3-8(9)15(12)26/h1-7H,19H2,(H,20,22,24)(H,21,23,25)