4-cyano-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2-methyl-5-pyrrol-1-yl-furan-3-carbohydrazide

Systemtic Name: 4-cyano-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2-methyl-5-pyrrol-1-yl-furan-3-carbohydrazide Openeye Name: 4-cyano-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2-methyl-5-pyrrol-1-yl-furan-3-carbohydrazide CAS Name: 4-cyano-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-2-methyl-5-(1-pyrrolyl)-3-furancarbohydrazide IUPAC Name: 4-cyano-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide Traditional Name: 4-cyano-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-2-methyl-5-pyrrol-1-yl-3-furohydrazide Formula: C25H22N6O3S MolecularWeight: 486.54558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C)C

InChI

InChI=1S/C25H22N6O3S/c1-15-12-16(2)28-25(27-15)35-14-18-6-8-19(9-7-18)22(32)29-30-23(33)21-17(3)34-24(20(21)13-26)31-10-4-5-11-31/h4-12H,14H2,1-3H3,(H,29,32)(H,30,33)