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

Systemtic Name: 3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H19N5OS/c1-14-18(15(2)25(24-14)13-16-8-4-3-5-9-16)12-22-26-20(27)17-10-6-7-11-19(17)23-21(26)28/h3-12H,13H2,1-2H3,(H,23,28)