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

Systemtic Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-5-24-16-9-6-14(10-17(16)23-4)11-20(3)12-21-18(25)22(13(2)19-21)15-7-8-15/h6,9-10,15H,5,7-8,11-12H2,1-4H3/p+1