2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H20ClN5OS/c23-17-11-5-3-9-15(17)20-26-27-22(28(20)14-7-1-2-8-14)30-13-19-24-18-12-6-4-10-16(18)21(29)25-19/h3-6,9-12,14H,1-2,7-8,13H2,(H,24,25,29)