5,6-bis(4-methoxyphenyl)-2-(3-phenylsulfanylpropyl)-1,2,4-triazin-3-one

Systemtic Name: 5,6-bis(4-methoxyphenyl)-2-(3-phenylsulfanylpropyl)-1,2,4-triazin-3-one Openeye Name: 5,6-bis(4-methoxyphenyl)-2-(3-phenylsulfanylpropyl)-1,2,4-triazin-3-one CAS Name: 5,6-bis(4-methoxyphenyl)-2-[3-(phenylthio)propyl]-1,2,4-triazin-3-one IUPAC Name: 5,6-bis(4-methoxyphenyl)-2-(3-phenylsulfanylpropyl)-1,2,4-triazin-3-one Traditional Name: 5,6-bis(4-methoxyphenyl)-2-[3-(phenylthio)propyl]-1,2,4-triazin-3-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCSC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-31-21-13-9-19(10-14-21)24-25(20-11-15-22(32-2)16-12-20)28-29(26(30)27-24)17-6-18-33-23-7-4-3-5-8-23/h3-5,7-16H,6,17-18H2,1-2H3