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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H26N4O2S/c1-5-27-18-12-11-16(13-19(18)26-4)14-23(2)15-25-21(28)24(3)20(22-25)17-9-7-6-8-10-17/h6-13H,5,14-15H2,1-4H3/p+1