2-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methyl]-6-nitro-4-(phenylmethyl)phenol

Systemtic Name: 2-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methyl]-6-nitro-4-(phenylmethyl)phenol Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]methyl]-4-benzyl-6-nitro-phenol CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]methyl]-6-nitro-4-(phenylmethyl)phenol IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]methyl]-4-benzyl-6-nitrophenol Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]methyl]-4-benzyl-6-nitro-phenol Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)CNC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)CNC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O3S/c31-26-21(15-19(16-24(26)30(32)33)14-18-6-2-1-3-7-18)17-28-22-12-10-20(11-13-22)27-29-23-8-4-5-9-25(23)34-27/h1-13,15-16,28,31H,14,17H2