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

Systemtic Name: 2-[(4-azanyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylphenyl)acetamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3)C

InChI

InChI=1S/C17H18N6OS/c1-11-6-5-8-13(12(11)2)20-15(24)10-25-17-22-21-16(23(17)18)14-7-3-4-9-19-14/h3-9H,10,18H2,1-2H3,(H,20,24)