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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5OS/c1-2-15-8-10-17(11-9-15)22-18(26)14-25-19(21)23-24-20(25)27-13-12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H2,21,23)(H,22,26)