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

Systemtic Name: 6-chloranyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C12H10ClN5OS MolecularWeight: 307.7587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=NC(=NN1)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C12H10ClN5OS/c1-6-14-12(18-17-6)20-5-10-15-9-3-2-7(13)4-8(9)11(19)16-10/h2-4H,5H2,1H3,(H,14,17,18)(H,15,16,19)