2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)NN=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H17N5O2S/c29-19-13-7-5-11-17(19)21-26-27-23(28(21)15-8-2-1-3-9-15)31-14-20-24-18-12-6-4-10-16(18)22(30)25-20/h1-13,26H,14H2,(H,24,25,30)