(5-chloranyl-2-methoxy-phenyl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[[4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C18H27ClN5O2S+ MolecularWeight: 412.95728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN5O2S/c1-4-23-17(22-7-9-26-10-8-22)20-24(18(23)27)13-21(2)12-14-11-15(19)5-6-16(14)25-3/h5-6,11H,4,7-10,12-13H2,1-3H3/p+1