3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5,6-bis(4-methylphenyl)-1,2,4-triazine

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5,6-bis(4-methylphenyl)-1,2,4-triazine Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5,6-bis(p-tolyl)-1,2,4-triazine CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5,6-bis(4-methylphenyl)-1,2,4-triazine IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5,6-bis(4-methylphenyl)-1,2,4-triazine Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5,6-bis(p-tolyl)-1,2,4-triazine Formula: C25H22BrN3OS MolecularWeight: 492.43068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCCOC3=CC(=CC=C3)Br)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCCOC3=CC(=CC=C3)Br)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22BrN3OS/c1-17-6-10-19(11-7-17)23-24(20-12-8-18(2)9-13-20)28-29-25(27-23)31-15-14-30-22-5-3-4-21(26)16-22/h3-13,16H,14-15H2,1-2H3