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

Systemtic Name: 3-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C20H16ClN5OS MolecularWeight: 409.89194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=NN2C(=O)C3=CC=CC=C3NC2=S)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5OS/c1-13-16(18(21)25(24-13)12-14-7-3-2-4-8-14)11-22-26-19(27)15-9-5-6-10-17(15)23-20(26)28/h2-11H,12H2,1H3,(H,23,28)