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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide Formula: C16H13N7OS MolecularWeight: 351.38572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7OS/c17-8-11-3-1-5-13(7-11)20-14(24)10-25-16-22-21-15(23(16)18)12-4-2-6-19-9-12/h1-7,9H,10,18H2,(H,20,24)