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

Systemtic Name: 6-azanyl-4-(4-bromanylthiophen-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-bromo-2-thienyl)-3-(p-tolylsulfanylmethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(4-bromo-2-thiophenyl)-3-[[(4-methylphenyl)thio]methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(4-bromothiophen-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-bromo-2-thienyl)-3-[(p-tolylthio)methyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C19H15BrN4OS2 MolecularWeight: 459.3826

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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(=CS4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=CS4)Br

InChI

InChI=1S/C19H15BrN4OS2/c1-10-2-4-12(5-3-10)26-9-14-17-16(15-6-11(20)8-27-15)13(7-21)18(22)25-19(17)24-23-14/h2-6,8,16H,9,22H2,1H3,(H,23,24)