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

Systemtic Name: 3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=NN3C(=O)C4=CC=CC=C4NC3=S)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=NN3C(=O)C4=CC=CC=C4NC3=S)C

InChI

InChI=1S/C22H21N5OS/c1-14-8-10-17(11-9-14)13-26-16(3)19(15(2)25-26)12-23-27-21(28)18-6-4-5-7-20(18)24-22(27)29/h4-12H,13H2,1-3H3,(H,24,29)