6-azanyl-4-cyclohex-3-en-1-yl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-cyclohex-3-en-1-yl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-cyclohex-3-en-1-yl-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(1-cyclohex-3-enyl)-3-[[(4-methylphenyl)thio]methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-cyclohex-3-en-1-yl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-cyclohex-3-en-1-yl-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4CCC=CC4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4CCC=CC4

InChI

InChI=1S/C21H22N4OS/c1-13-7-9-15(10-8-13)27-12-17-19-18(14-5-3-2-4-6-14)16(11-22)20(23)26-21(19)25-24-17/h2-3,7-10,14,18H,4-6,12,23H2,1H3,(H,24,25)