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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-homoveratryl-propionamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N5O3S/c1-16(21(29)25-13-11-18-9-10-19(30-2)20(15-18)31-3)28-22(24)26-27-23(28)32-14-12-17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3,(H2,24,26)(H,25,29)