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

Systemtic Name: 6-azanyl-4-(3-bromophenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromophenyl)-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromophenyl)-3-[[(4-methylphenyl)thio]methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromophenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromophenyl)-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4OS/c1-12-5-7-15(8-6-12)28-11-17-19-18(13-3-2-4-14(22)9-13)16(10-23)20(24)27-21(19)26-25-17/h2-9,18H,11,24H2,1H3,(H,25,26)