3-(4-chloranylpyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: 3-(4-chloranylpyrazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: 3-(4-chloropyrazol-1-yl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(4-chloro-1-pyrazolyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-(4-chloropyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-chloropyrazol-1-yl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CCN3C=C(C=N3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CCN3C=C(C=N3)Cl

InChI

InChI=1S/C14H12ClN5O2S/c15-9-7-16-19(8-9)6-5-12(21)18-20-13(22)10-3-1-2-4-11(10)17-14(20)23/h1-4,7-8H,5-6H2,(H,17,23)(H,18,21)