3-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C17H15N5S/c1-12-5-3-8-16(13(12)2)22-17(19-20-21-22)23-11-15-7-4-6-14(9-15)10-18/h3-9H,11H2,1-2H3