2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-homoveratryl-propionamide Formula: C17H25N5O3S MolecularWeight: 379.4771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C17H25N5O3S/c1-5-26-17-21-20-16(18)22(17)11(2)15(23)19-9-8-12-6-7-13(24-3)14(10-12)25-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,18,20)(H,19,23)