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

Systemtic Name: 6-azanyl-3-[(4-methylphenyl)sulfanylmethyl]-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-isopropyl-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-[[(4-methylphenyl)thio]methyl]-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-[(4-methylphenyl)sulfanylmethyl]-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-isopropyl-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-10(2)15-13(8-19)17(20)23-18-16(15)14(21-22-18)9-24-12-6-4-11(3)5-7-12/h4-7,10,15H,9,20H2,1-3H3,(H,21,22)