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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]propionamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)CN4C=NC=N4

InChI

InChI=1S/C21H20N6O2S/c28-19(9-10-27-20(29)17-7-3-4-8-18(17)25-21(27)30)23-11-15-5-1-2-6-16(15)12-26-14-22-13-24-26/h1-8,13-14H,9-12H2,(H,23,28)(H,25,30)