4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]-1H-quinazoline-7-carboxamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)NC1=S

InChI

InChI=1S/C22H20N6O2S/c1-2-9-28-21(30)18-8-7-15(10-19(18)26-22(28)31)20(29)24-11-16-5-3-4-6-17(16)12-27-14-23-13-25-27/h2-8,10,13-14H,1,9,11-12H2,(H,24,29)(H,26,31)