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

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-3-(2,5-dimethyl-3-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-(2,5-dimethyl-3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-benzoxy-3-bromo-5-methoxy-phenyl)-3-(2,5-dimethyl-3-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C27H23BrN4O3S MolecularWeight: 563.46552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H23BrN4O3S/c1-14-9-18(15(2)36-14)24-23-22(19(12-29)26(30)35-27(23)32-31-24)17-10-20(28)25(21(11-17)33-3)34-13-16-7-5-4-6-8-16/h4-11,22H,13,30H2,1-3H3,(H,31,32)