3-[4-(phenylmethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]propanenitrile Openeye Name: 3-(4-benzyl-5-thioxo-tetrazol-1-yl)propanenitrile CAS Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1-tetrazolyl]propanenitrile IUPAC Name: 3-(4-benzyl-5-sulfanylidenetetrazol-1-yl)propanenitrile Traditional Name: 3-(4-benzyl-5-thioxo-tetrazol-1-yl)propionitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)N(N=N2)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)N(N=N2)CCC#N

InChI

InChI=1S/C11H11N5S/c12-7-4-8-15-11(17)16(14-13-15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2