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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-benzyl-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5OS/c1-3-20-15(10-9-14(17)22)18-21(16(20)23)12-19(2)11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,22)/p+1