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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-homoveratryl-acetamide Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=NN=C2SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=NN=C2SC)N)OC

InChI

InChI=1S/C15H21N5O3S/c1-22-11-5-4-10(8-12(11)23-2)6-7-17-13(21)9-20-14(16)18-19-15(20)24-3/h4-5,8H,6-7,9H2,1-3H3,(H2,16,18)(H,17,21)