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

Systemtic Name: 6-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C18H13BrN4O3S MolecularWeight: 445.28982

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O3S/c1-25-11-6-8(5-10(19)16(11)24)13-9(7-20)17(21)26-18-14(13)15(22-23-18)12-3-2-4-27-12/h2-6,13,24H,21H2,1H3,(H,22,23)