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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c1-9-6-5-7-10-12(9)17-11(18-13(10)22)8-23-15-19-14(20-21-15)16(2,3)4/h5-7H,8H2,1-4H3,(H,17,18,22)(H,19,20,21)