3-(3-methylbutan-2-ylsulfanyl)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-(3-methylbutan-2-ylsulfanyl)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine Openeye Name: 3-(1,2-dimethylpropylsulfanyl)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine CAS Name: 3-(3-methylbutan-2-ylthio)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine IUPAC Name: 3-(3-methylbutan-2-ylsulfanyl)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine Traditional Name: 3-(1,2-dimethylpropylthio)-5,6-bis(4-propoxyphenyl)-1,2,4-triazine Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C)C(C)C)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(N=NC(=N2)SC(C)C(C)C)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C26H33N3O2S/c1-6-16-30-22-12-8-20(9-13-22)24-25(21-10-14-23(15-11-21)31-17-7-2)28-29-26(27-24)32-19(5)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3