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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-3-pyridazin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-pyridazin-3-yl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-(3-pyridazinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-pyridazin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-3-pyridazin-3-yl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H14ClN5O2S MolecularWeight: 423.87546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

C1=CC(=NN=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C20H14ClN5O2S/c21-14-6-3-12(4-7-14)11-22-18(27)13-5-8-15-16(10-13)24-20(29)26(19(15)28)17-2-1-9-23-25-17/h1-10H,11H2,(H,22,27)(H,24,29)