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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-homoveratryl-acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C22H27N5O3S/c1-29-18-9-8-17(14-19(18)30-2)10-12-24-20(28)15-27-21(23)25-26-22(27)31-13-11-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H2,23,25)(H,24,28)