1-[2-oxidanylidene-2-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-oxidanylidene-2-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-[2-(isopropylamino)pyridin-1-ium-1-yl]-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-oxo-2-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]ethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-oxo-2-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]ethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-[2-(isopropylamino)pyridin-1-ium-1-yl]-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C15H17N6O2S+ MolecularWeight: 345.39948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C15H16N6O2S/c1-11(2)16-12-6-3-4-8-19(12)13(22)10-20-15(23)21(18-17-20)14-7-5-9-24-14/h3-9,11H,10H2,1-2H3/p+1