(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: (4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C20H32N5OS+ MolecularWeight: 390.56598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5OS/c1-5-24-19(23-10-12-26-13-11-23)21-25(20(24)27)15-22(4)14-17-6-8-18(9-7-17)16(2)3/h6-9,16H,5,10-15H2,1-4H3/p+1