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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-p-anisyl-ammonium Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CCC(=O)N

InChI

InChI=1S/C17H25N5O2S/c1-4-21-16(10-9-15(18)23)19-22(17(21)25)12-20(2)11-13-5-7-14(24-3)8-6-13/h5-8H,4,9-12H2,1-3H3,(H2,18,23)/p+1