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

Systemtic Name: 3-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(5-chloro-1-isobutyl-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:

CC1=NN(C(=C1C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl)CC(C)C

InChI

InChI=1S/C17H18ClN5OS/c1-10(2)9-22-15(18)13(11(3)21-22)8-19-23-16(24)12-6-4-5-7-14(12)20-17(23)25/h4-8,10H,9H2,1-3H3,(H,20,25)