3-bromanyl-10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazine

Systemtic Name: 3-bromanyl-10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazine Openeye Name: 3-bromo-10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazine CAS Name: 3-bromo-10-hexyl-7-(10-hexyl-3-phenothiazinyl)phenothiazine IUPAC Name: 3-bromo-10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazine Traditional Name: 3-bromo-10-hexyl-7-(10-hexylphenothiazin-3-yl)phenothiazine Formula: C36H39BrN2S2 MolecularWeight: 643.74226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C5S4)CCCCCC)SC6=C1C=CC(=C6)Br

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C5S4)CCCCCC)SC6=C1C=CC(=C6)Br

InChI

InChI=1S/C36H39BrN2S2/c1-3-5-7-11-21-38-29-13-9-10-14-33(29)40-34-23-26(15-18-30(34)38)27-16-19-31-35(24-27)41-36-25-28(37)17-20-32(36)39(31)22-12-8-6-4-2/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3