2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethoxyphenyl)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5O3S/c1-14(19(27)23-16-9-10-17(28-2)18(13-16)29-3)26-20(22)24-25-21(26)30-12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3,(H2,22,24)(H,23,27)