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

Systemtic Name: 6-chloranyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4CC4

InChI

InChI=1S/C15H14ClN5OS/c1-21-13(8-2-3-8)19-20-15(21)23-7-12-17-11-5-4-9(16)6-10(11)14(22)18-12/h4-6,8H,2-3,7H2,1H3,(H,17,18,22)