(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: [4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C17H25N5OS/c1-3-21-16(20-9-11-23-12-10-20)18-22(17(21)24)14-19(2)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3/p+1