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

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

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