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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinazolin-4-yl-ethanamide Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-quinazolin-4-yl-acetamide CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-N-(4-quinazolinyl)acetamide IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinazolin-4-ylacetamide Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-N-quinazolin-4-yl-acetamide Formula: C17H13N7OS MolecularWeight: 363.39642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H13N7OS/c25-14(21-16-12-3-1-2-4-13(12)19-10-20-16)9-26-17-22-15(23-24-17)11-5-7-18-8-6-11/h1-8,10H,9H2,(H,22,23,24)(H,19,20,21,25)