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

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(2,5-dimethyl-3-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(2,5-dimethyl-3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(2,5-dimethylthiophen-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-3-(2,5-dimethyl-3-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=C(SC(=C4)C)C)N)C#N)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=C(SC(=C4)C)C)N)C#N)Br)O

InChI

InChI=1S/C21H19BrN4O3S/c1-4-28-15-7-11(6-14(22)19(15)27)16-13(8-23)20(24)29-21-17(16)18(25-26-21)12-5-9(2)30-10(12)3/h5-7,16,27H,4,24H2,1-3H3,(H,25,26)