2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chlorophenyl)acetamide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN5OS/c1-8(2)12-17-18-13(19(12)15)21-7-11(20)16-10-5-3-9(14)4-6-10/h3-6,8H,7,15H2,1-2H3,(H,16,20)