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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-4-26-18-11-10-16(12-19(18)25-3)13-22(2)15-24-20(27)23(14-21-24)17-8-6-5-7-9-17/h5-12,14H,4,13,15H2,1-3H3/p+1