2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)methyl]-1,3-benzothiazole Formula: C21H13N3O2S2 MolecularWeight: 403.47682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H13N3O2S2/c25-24(26)14-11-9-13(10-12-14)19(20-22-15-5-1-3-7-17(15)27-20)21-23-16-6-2-4-8-18(16)28-21/h1-12,19H