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

Systemtic Name: 8-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=N3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=N3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-13(2)19-24-21(25-26(19)15-9-5-4-6-10-15)28-12-17-22-18-14(3)8-7-11-16(18)20(27)23-17/h4-11,13H,12H2,1-3H3,(H,22,23,27)