[4-(2-azanyl-2-oxidanylidene-ethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-cycloheptyl-methyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-cycloheptyl-methyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cycloheptyl-methyl-ammonium CAS Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-cycloheptyl-methylammonium IUPAC Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-cycloheptyl-methylazanium Traditional Name: [4-(2-amino-2-keto-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cycloheptyl-methyl-ammonium Formula: C17H26N5OS2+ MolecularWeight: 380.55124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)CC(=O)N)C3CCCCCC3

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)CC(=O)N)C3CCCCCC3

InChI

InChI=1S/C17H25N5OS2/c1-20(13-7-4-2-3-5-8-13)12-22-17(24)21(11-15(18)23)16(19-22)14-9-6-10-25-14/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H2,18,23)/p+1