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

Systemtic Name: 4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=CC=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC(=C(N=C1)N2C=CC=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C18H14N6O2S/c25-16(11-4-5-13-14(9-11)22-18(27)23-17(13)26)20-10-12-3-1-6-19-15(12)24-8-2-7-21-24/h1-9H,10H2,(H,20,25)(H2,22,23,26,27)