10-hexyl-3-(4-nitropyridin-2-yl)phenothiazine

Systemtic Name: 10-hexyl-3-(4-nitropyridin-2-yl)phenothiazine Openeye Name: 10-hexyl-3-(4-nitro-2-pyridyl)phenothiazine CAS Name: 10-hexyl-3-(4-nitro-2-pyridinyl)phenothiazine IUPAC Name: 10-hexyl-3-(4-nitropyridin-2-yl)phenothiazine Traditional Name: 10-hexyl-3-(4-nitro-2-pyridyl)phenothiazine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=NC=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C41

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=NC=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C41

InChI

InChI=1S/C23H23N3O2S/c1-2-3-4-7-14-25-20-8-5-6-9-22(20)29-23-15-17(10-11-21(23)25)19-16-18(26(27)28)12-13-24-19/h5-6,8-13,15-16H,2-4,7,14H2,1H3