2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenothiazin-10-yl-butan-1-one

Systemtic Name: 2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenothiazin-10-yl-butan-1-one Openeye Name: 2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenothiazin-10-yl-butan-1-one CAS Name: 2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-1-(10-phenothiazinyl)-1-butanone IUPAC Name: 2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenothiazin-10-ylbutan-1-one Traditional Name: 2-[[6-(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-1-phenothiazin-10-yl-butan-1-one Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC=C(N=N4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC=C(N=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H22N4O2S2/c1-3-22(34-26-27-16-19(28-29-26)17-12-14-18(32-2)15-13-17)25(31)30-20-8-4-6-10-23(20)33-24-11-7-5-9-21(24)30/h4-16,22H,3H2,1-2H3