6-chloranyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5OS/c1-2-26-18(10-13-6-4-3-5-7-13)24-25-20(26)28-12-17-22-16-9-8-14(21)11-15(16)19(27)23-17/h3-9,11H,2,10,12H2,1H3,(H,22,23,27)