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

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C4CC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C4CC4)OC

InChI

InChI=1S/C20H28N4O2S/c1-4-26-17-10-5-14(11-18(17)25-3)12-22(2)13-23-20(27)24(16-8-9-16)19(21-23)15-6-7-15/h5,10-11,15-16H,4,6-9,12-13H2,1-3H3/p+1