3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde

Systemtic Name: 3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde Openeye Name: 3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzaldehyde CAS Name: 3,4-bis(1,3-benzothiazol-2-ylthio)-5-nitrobenzaldehyde IUPAC Name: 3,4-bis(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde Traditional Name: 3,4-bis(1,3-benzothiazol-2-ylthio)-5-nitro-benzaldehyde Formula: C21H11N3O3S4 MolecularWeight: 481.59034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3SC4=NC5=CC=CC=C5S4)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3SC4=NC5=CC=CC=C5S4)[N+](=O)[O-])C=O

InChI

InChI=1S/C21H11N3O3S4/c25-11-12-9-15(24(26)27)19(31-21-23-14-6-2-4-8-17(14)29-21)18(10-12)30-20-22-13-5-1-3-7-16(13)28-20/h1-11H