2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]-1H-quinazolin-4-one CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-mercaptomethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-mercapto-methyl]-1H-quinazolin-4-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)C(C2=NC(=O)C3=CC=CC=C3N2)S

Isomeric SMILES

CC1=NN=C(N1C)C(C2=NC(=O)C3=CC=CC=C3N2)S

InChI

InChI=1S/C13H13N5OS/c1-7-16-17-12(18(7)2)10(20)11-14-9-6-4-3-5-8(9)13(19)15-11/h3-6,10,20H,1-2H3,(H,14,15,19)