N-[bis(1,3-benzothiazol-2-yl)methylideneamino]-3-nitro-aniline

Systemtic Name: N-[bis(1,3-benzothiazol-2-yl)methylideneamino]-3-nitro-aniline Openeye Name: N-[bis(1,3-benzothiazol-2-yl)methyleneamino]-3-nitro-aniline CAS Name: N-[bis(1,3-benzothiazol-2-yl)methylideneamino]-3-nitroaniline IUPAC Name: N-[bis(1,3-benzothiazol-2-yl)methylideneamino]-3-nitroaniline Traditional Name: [bis(1,3-benzothiazol-2-yl)methyleneamino]-(3-nitrophenyl)amine Formula: C21H13N5O2S2 MolecularWeight: 431.49022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H13N5O2S2/c27-26(28)14-7-5-6-13(12-14)24-25-19(20-22-15-8-1-3-10-17(15)29-20)21-23-16-9-2-4-11-18(16)30-21/h1-12,24H