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

Systemtic Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butyl-butanamide Openeye Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butyl-butanamide CAS Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-butylbutanamide IUPAC Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butylbutanamide Traditional Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-butyl-butyramide Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC(=C(N=N1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC(=C(N=N1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H34N4O5S/c1-7-9-14-28-26(32)23(8-2)37-27-29-24(17-10-12-19(33-3)21(15-17)35-5)25(30-31-27)18-11-13-20(34-4)22(16-18)36-6/h10-13,15-16,23H,7-9,14H2,1-6H3,(H,28,32)