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

Systemtic Name: 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenethyl-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-phenethyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NN=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NN=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H21N5O2S/c31-21-13-7-5-11-19(21)23-28-29-25(30(23)15-14-17-8-2-1-3-9-17)33-16-22-26-20-12-6-4-10-18(20)24(32)27-22/h1-13,28H,14-16H2,(H,26,27,32)