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

Systemtic Name: 6-chloranyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H14ClN5OS MolecularWeight: 335.81186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C14H14ClN5OS/c1-8(2)20-7-16-19-14(20)22-6-12-17-11-4-3-9(15)5-10(11)13(21)18-12/h3-5,7-8H,6H2,1-2H3,(H,17,18,21)