2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-p-phenetyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5O2S/c1-2-27-17-10-8-16(9-11-17)22-18(26)14-25-19(21)23-24-20(25)28-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H2,21,23)(H,22,26)