3-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H17N7OS/c1-14-18(19(28)27(25(14)2)17-9-4-3-5-10-17)26-20(22-23-24-26)29-13-16-8-6-7-15(11-16)12-21/h3-11H,13H2,1-2H3