6-azanyl-4-[4-[(2-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[4-[(2-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thiophenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(S3)C)COC4=CC=CC=C4Br

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(S3)C)COC4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN4O2S/c1-10-17-18(13(8-22)19(23)27-20(17)25-24-10)16-7-12(11(2)28-16)9-26-15-6-4-3-5-14(15)21/h3-7,18H,9,23H2,1-2H3,(H,24,25)