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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

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