3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C)Cl

InChI

InChI=1S/C16H17ClN4OS/c1-10-14(17)11(2)21(19-10)9-5-8-20-15(22)12-6-3-4-7-13(12)18-16(20)23/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,23)