7-chloranyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5OS/c19-12-6-7-13-14(9-12)20-16(21-17(13)25)10-26-18-22-15(23-24-18)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,20,21,25)(H,22,23,24)