cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-(3,5-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-(3,5-dimethylphenyl)-5-thioxo-tetrazol-1-yl]methyl]-p-anisyl-ammonium Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=S)N(N=N2)C[NH+](CC3=CC=C(C=C3)OC)C4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=S)N(N=N2)C[NH+](CC3=CC=C(C=C3)OC)C4CC4)C

InChI

InChI=1S/C21H25N5OS/c1-15-10-16(2)12-19(11-15)26-21(28)25(22-23-26)14-24(18-6-7-18)13-17-4-8-20(27-3)9-5-17/h4-5,8-12,18H,6-7,13-14H2,1-3H3/p+1