N-(4-acetamidophenyl)-2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SC)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SC)N

InChI

InChI=1S/C13H16N6O2S/c1-8(20)15-9-3-5-10(6-4-9)16-11(21)7-19-12(14)17-18-13(19)22-2/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,20)(H,16,21)