6-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile CAS Name: 6-[[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-tetrazolyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-[[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)tetrazol-5-yl]thio]nicotinonitrile Formula: C18H14N8OS MolecularWeight: 390.42176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC4=NC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC4=NC=C(C=C4)C#N

InChI

InChI=1S/C18H14N8OS/c1-12-16(17(27)26(24(12)2)14-6-4-3-5-7-14)25-18(21-22-23-25)28-15-9-8-13(10-19)11-20-15/h3-9,11H,1-2H3