2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanenitrile

Systemtic Name: 2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanenitrile Openeye Name: 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propanenitrile CAS Name: 2-methyl-3-[(1-phenyl-5-tetrazolyl)thio]propanenitrile IUPAC Name: 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile Traditional Name: 2-methyl-3-[(1-phenyltetrazol-5-yl)thio]propionitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=NN1C2=CC=CC=C2)C#N

Isomeric SMILES

CC(CSC1=NN=NN1C2=CC=CC=C2)C#N

InChI

InChI=1S/C11H11N5S/c1-9(7-12)8-17-11-13-14-15-16(11)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3