3-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-pyrazolyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCN3C=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCN3C=CC=N3

InChI

InChI=1S/C14H14N4OS/c19-13-11-5-1-2-6-12(11)16-14(20)18(13)10-4-9-17-8-3-7-15-17/h1-3,5-8H,4,9-10H2,(H,16,20)