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

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H15N5OS/c1-8(2)12-17-14(19-18-12)21-7-11-15-10-6-4-3-5-9(10)13(20)16-11/h3-6,8H,7H2,1-2H3,(H,15,16,20)(H,17,18,19)