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

Systemtic Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-24(14-17-11-12-19(27-2)13-20(17)28-3)15-25-22(29)26(18-7-5-4-6-8-18)21(23-25)16-9-10-16/h4-8,11-13,16H,9-10,14-15H2,1-3H3/p+1