N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C25H25N5O2S/c1-4-12-29-24(32)20-11-10-19(13-22(20)27-25(29)33)23(31)26-14-21-16(2)28-30(17(21)3)15-18-8-6-5-7-9-18/h4-11,13H,1,12,14-15H2,2-3H3,(H,26,31)(H,27,33)