6-azanyl-4-(4-butoxy-3-methoxy-phenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(4-butoxy-3-methoxy-phenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-butoxy-3-methoxy-phenyl)-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-[[(4-methylphenyl)thio]methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-butoxy-3-methoxy-phenyl)-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CSC4=CC=C(C=C4)C)N)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CSC4=CC=C(C=C4)C)N)C#N)OC

InChI

InChI=1S/C26H28N4O3S/c1-4-5-12-32-21-11-8-17(13-22(21)31-3)23-19(14-27)25(28)33-26-24(23)20(29-30-26)15-34-18-9-6-16(2)7-10-18/h6-11,13,23H,4-5,12,15,28H2,1-3H3,(H,29,30)