6,8-bis(bromanyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H11Br2N5OS MolecularWeight: 493.17514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=NC(=O)C4=CC(=CC(=C4N3)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=NC(=O)C4=CC(=CC(=C4N3)Br)Br

InChI

InChI=1S/C17H11Br2N5OS/c18-10-6-12-15(13(19)7-10)21-14(22-16(12)25)8-26-17-23-20-9-24(17)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,21,22,25)