4-oxidanylidene-3-prop-2-enyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=S

InChI

InChI=1S/C21H18N6O2S/c1-2-10-26-20(29)16-7-6-14(12-17(16)25-21(26)30)19(28)23-13-15-5-3-8-22-18(15)27-11-4-9-24-27/h2-9,11-12H,1,10,13H2,(H,23,28)(H,25,30)