2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentyl-butanamide

Systemtic Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentyl-butanamide Openeye Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentyl-butanamide CAS Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-cyclopentylbutanamide IUPAC Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclopentylbutanamide Traditional Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-cyclopentyl-butyramide Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCC1)SC2=NC(=C(N=N2)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)NC1CCCC1)SC2=NC(=C(N=N2)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H34N4O5S/c1-6-24(27(33)29-19-9-7-8-10-19)38-28-30-25(17-11-13-20(34-2)22(15-17)36-4)26(31-32-28)18-12-14-21(35-3)23(16-18)37-5/h11-16,19,24H,6-10H2,1-5H3,(H,29,33)