2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H14BrN5O2S MolecularWeight: 444.30506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H14BrN5O2S/c1-24-16(12-8-10(19)6-7-14(12)25)22-23-18(24)27-9-15-20-13-5-3-2-4-11(13)17(26)21-15/h2-8,22H,9H2,1H3,(H,20,21,26)