2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-cyanophenyl)ethanamide

Systemtic Name: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(4-cyanophenyl)acetamide Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H21N5O3S/c1-33-21-11-5-18(6-12-21)24-25(19-7-13-22(34-2)14-8-19)30-31-26(29-24)35-16-23(32)28-20-9-3-17(15-27)4-10-20/h3-14H,16H2,1-2H3,(H,28,32)