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

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C14H18ClN5OS MolecularWeight: 339.84362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C(C)C)Cl

InChI

InChI=1S/C14H18ClN5OS/c1-8(2)13-18-19-14(20(13)16)22-7-12(21)17-10-5-4-9(3)11(15)6-10/h4-6,8H,7,16H2,1-3H3,(H,17,21)