3-ethyl-4-oxidanylidene-2-sulfanylidene-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-2-sulfanylidene-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-2-thioxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-2-sulfanylidene-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-4-oxo-2-sulfanylidene-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-2-thioxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-quinazoline-7-carboxamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)N4C=NC=N4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)N4C=NC=N4)NC1=S

InChI

InChI=1S/C21H20N6O2S/c1-3-26-20(29)17-9-6-15(10-18(17)25-21(26)30)19(28)24-13(2)14-4-7-16(8-5-14)27-12-22-11-23-27/h4-13H,3H2,1-2H3,(H,24,28)(H,25,30)