6-methoxy-4-oxidanylidene-N-[[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]methyl]-1H-quinazoline-2-carboxamide

Systemtic Name: 6-methoxy-4-oxidanylidene-N-[[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]methyl]-1H-quinazoline-2-carboxamide Openeye Name: 6-methoxy-4-oxo-N-[[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]methyl]-1H-quinazoline-2-carboxamide CAS Name: 6-methoxy-4-oxo-N-[[3-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]phenyl]methyl]-1H-quinazoline-2-carboxamide IUPAC Name: 6-methoxy-4-oxo-N-[[3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethoxy]phenyl]methyl]-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-6-methoxy-N-[3-[2-(1H-1,2,4-triazol-5-ylthio)ethoxy]benzyl]-1H-quinazoline-2-carboxamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=NC2=O)C(=O)NCC3=CC(=CC=C3)OCCSC4=NC=NN4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=NC2=O)C(=O)NCC3=CC(=CC=C3)OCCSC4=NC=NN4

InChI

InChI=1S/C21H20N6O4S/c1-30-14-5-6-17-16(10-14)19(28)26-18(25-17)20(29)22-11-13-3-2-4-15(9-13)31-7-8-32-21-23-12-24-27-21/h2-6,9-10,12H,7-8,11H2,1H3,(H,22,29)(H,23,24,27)(H,25,26,28)