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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C19H15ClN6OS MolecularWeight: 410.88

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C19H15ClN6OS/c1-12-23-15-5-3-2-4-14(15)19(24-12)28-9-18(27)25-16-8-13(20)6-7-17(16)26-11-21-10-22-26/h2-8,10-11H,9H2,1H3,(H,25,27)