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

Systemtic Name: 6-azanyl-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[4-methoxy-3-[(2-pyridin-1-iumylthio)methyl]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)phenyl]-3-methyl-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-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H20N5O2S+ MolecularWeight: 406.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H19N5O2S/c1-12-18-19(15(10-22)20(23)28-21(18)26-25-12)13-6-7-16(27-2)14(9-13)11-29-17-5-3-4-8-24-17/h3-9,19H,11,23H2,1-2H3,(H,25,26)/p+1