6-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-benzoxy-3-bromo-5-methoxy-phenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C25H19BrN4O3S MolecularWeight: 535.41236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C25H19BrN4O3S/c1-31-18-11-15(10-17(26)23(18)32-13-14-6-3-2-4-7-14)20-16(12-27)24(28)33-25-21(20)22(29-30-25)19-8-5-9-34-19/h2-11,20H,13,28H2,1H3,(H,29,30)