2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C18H19N5OS/c1-12-7-6-8-13(2)16(12)20-15(24)11-25-18-22-21-17(19)23(18)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H2,19,21)(H,20,24)