2-[1-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C18H15BrN6OS MolecularWeight: 443.3203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C18H15BrN6OS/c1-10(15-21-14-9-5-3-7-12(14)17(26)22-15)27-18-24-23-16(25(18)20)11-6-2-4-8-13(11)19/h2-10H,20H2,1H3,(H,21,22,26)