2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C22H21ClN6O2S/c1-2-3-10-28-21(31)16-6-4-5-7-17(16)27-22(28)32-12-20(30)26-18-11-15(23)8-9-19(18)29-14-24-13-25-29/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,26,30)