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

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

Systemtic Name:4-[1H-indol-3-yl-[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenol
Openeye Name:4-[1H-indol-3-yl-[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenol
CAS Name:4-[1H-indol-3-yl-[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenol
IUPAC Name:4-[1H-indol-3-yl-[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenol
Traditional Name:4-[1H-indol-3-yl-[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenol
Formula: C22H16N4O3S
MolecularWeight: 416.45244
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


InChI

InChI=1S/C22H16N4O3S/c27-15-8-5-13(6-9-15)21(17-12-23-18-4-2-1-3-16(17)18)25-22-24-19-10-7-14(26(28)29)11-20(19)30-22/h1-12,21,23,27H,(H,24,25)


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