5-(4-methoxyphenyl)-3-phenethylsulfanyl-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine

Systemtic Name: 5-(4-methoxyphenyl)-3-phenethylsulfanyl-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine Openeye Name: 6-(4-isopropoxyphenyl)-5-(4-methoxyphenyl)-3-phenethylsulfanyl-1,2,4-triazine CAS Name: 5-(4-methoxyphenyl)-3-(phenethylthio)-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine IUPAC Name: 5-(4-methoxyphenyl)-3-phenethylsulfanyl-6-(4-propan-2-yloxyphenyl)-1,2,4-triazine Traditional Name: 6-(4-isopropoxyphenyl)-5-(4-methoxyphenyl)-3-(phenethylthio)-1,2,4-triazine Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27N3O2S/c1-19(2)32-24-15-11-22(12-16-24)26-25(21-9-13-23(31-3)14-10-21)28-27(30-29-26)33-18-17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3