3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

InChI=1S/C17H18ClN5OS/c1-3-4-9-22-15(18)13(11(2)21-22)10-19-23-16(24)12-7-5-6-8-14(12)20-17(23)25/h5-8,10H,3-4,9H2,1-2H3,(H,20,25)