6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]hexanamide Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=NC=N4

InChI

InChI=1S/C24H26N6O2S/c31-22(26-14-18-8-3-4-9-19(18)15-29-17-25-16-27-29)12-2-1-7-13-30-23(32)20-10-5-6-11-21(20)28-24(30)33/h3-6,8-11,16-17H,1-2,7,12-15H2,(H,26,31)(H,28,33)