6-azanyl-3-[(4-cyano-3,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-[(4-cyano-3,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-[(4-cyano-3,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-[[(4-cyano-3,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-[(4-cyano-3,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-[[(4-cyano-3,6-dimethyl-2-pyridyl)thio]methyl]-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C#N)C)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(C(=C1)C#N)C)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H18N6OS/c1-12-8-15(9-23)13(2)22(26-12)30-11-17-19-18(14-6-4-3-5-7-14)16(10-24)20(25)29-21(19)28-27-17/h3-8,18H,11,25H2,1-2H3,(H,27,28)