3-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C20H17N5O2S/c1-24-19(27)16-8-7-14(9-17(16)23-20(24)28)18(26)21-10-13-11-22-25(12-13)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,21,26)(H,23,28)