5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: 5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-keto-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H23N6O3S+ MolecularWeight: 439.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C2=C3C(=C[N+](=C2)CCOC)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)C2=C3C(=C[N+](=C2)CCOC)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S/c1-13(2)19-23-24-21(31-19)22-18(28)15-11-26(9-10-30-3)12-16-17(15)25-27(20(16)29)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,22,24,28)/p+1