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

Systemtic Name: 6-azanyl-3-[(4-methylphenyl)sulfanylmethyl]-4-(phenylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-benzyl-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-[[(4-methylphenyl)thio]methyl]-4-(phenylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-benzyl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-benzyl-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-14-7-9-16(10-8-14)28-13-19-20-17(11-15-5-3-2-4-6-15)18(12-23)21(24)27-22(20)26-25-19/h2-10,17H,11,13,24H2,1H3,(H,25,26)