2-[3-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-oxidanylidene-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-oxidanylidene-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-oxo-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-oxopropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-oxopropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-2-keto-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C14H16N5OS2+ MolecularWeight: 334.43974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C[N+]2=C(SC(=N2)C)N)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C[N+]2=C(SC(=N2)C)N)C

InChI

InChI=1S/C14H15N5OS2/c1-8-4-9(2)17-13(12(8)5-15)21-7-11(20)6-19-14(16)22-10(3)18-19/h4,16H,6-7H2,1-3H3/p+1