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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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