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

Systemtic Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-cyclopropyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-benzyl-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzyl-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-p-anisyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-24(14-18-8-12-20(27-2)13-9-18)16-26-22(28)25(21(23-26)19-10-11-19)15-17-6-4-3-5-7-17/h3-9,12-13,19H,10-11,14-16H2,1-2H3/p+1