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

Systemtic Name: 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-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-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H17N5O2S/c1-2-11-25-18(14-8-4-6-10-16(14)26)23-24-20(25)28-12-17-21-15-9-5-3-7-13(15)19(27)22-17/h2-10,23H,1,11-12H2,(H,21,22,27)