6-azanyl-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[4-methoxy-3-[(2-pyridin-1-iumylthio)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[4-methoxy-3-[(pyridin-1-ium-2-ylthio)methyl]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C26H22N5O2S+ MolecularWeight: 468.55018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)CSC5=CC=CC=[NH+]5

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)CSC5=CC=CC=[NH+]5

InChI

InChI=1S/C26H21N5O2S/c1-32-20-11-10-17(13-18(20)15-34-21-9-5-6-12-29-21)22-19(14-27)25(28)33-26-23(22)24(30-31-26)16-7-3-2-4-8-16/h2-13,22H,15,28H2,1H3,(H,30,31)/p+1