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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H21ClN6O2S MolecularWeight: 480.96984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5

InChI

InChI=1S/C23H21ClN6O2S/c24-15-9-10-20(29-14-25-13-26-29)19(11-15)27-21(31)12-33-23-28-18-8-4-3-7-17(18)22(32)30(23)16-5-1-2-6-16/h3-4,7-11,13-14,16H,1-2,5-6,12H2,(H,27,31)