N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C18H13ClN6OS MolecularWeight: 396.85342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C18H13ClN6OS/c19-12-5-6-16(25-11-20-9-23-25)15(7-12)24-17(26)8-27-18-13-3-1-2-4-14(13)21-10-22-18/h1-7,9-11H,8H2,(H,24,26)