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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-cyclopropyl-quinazolin-4-one Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5Br

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5Br

InChI

InChI=1S/C20H16BrN5OS/c21-15-7-3-1-5-13(15)18-23-20(25-24-18)28-11-17-22-16-8-4-2-6-14(16)19(27)26(17)12-9-10-12/h1-8,12H,9-11H2,(H,23,24,25)