ethyl-(phenylmethyl)-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium

Systemtic Name: ethyl-(phenylmethyl)-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium Openeye Name: benzyl-ethyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium CAS Name: ethyl-(phenylmethyl)-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]ammonium IUPAC Name: benzyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5S/c1-2-20(13-15-9-5-3-6-10-15)14-21-17(23)22(19-18-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3/p+1