2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(5-butyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-1-phenothiazin-10-yl-ethanone Formula: C27H23N5OS2 MolecularWeight: 497.63442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H23N5OS2/c1-2-3-16-31-19-11-5-4-10-18(19)25-26(31)28-27(30-29-25)34-17-24(33)32-20-12-6-8-14-22(20)35-23-15-9-7-13-21(23)32/h4-15H,2-3,16-17H2,1H3