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

Systemtic Name: 2-[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-quinazolin-4-one CAS Name: 2-[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-quinazolin-4-one Formula: C16H10BrN5OS MolecularWeight: 400.2525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H10BrN5OS/c17-9-5-7-10(8-6-9)22-14(20-21-16(22)24)13-18-12-4-2-1-3-11(12)15(23)19-13/h1-8H,(H,21,24)(H,18,19,23)