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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-3-25-21(18-7-5-4-6-8-18)23-26(22(25)28)16-24(19-11-12-19)15-17-9-13-20(27-2)14-10-17/h4-10,13-14,19H,3,11-12,15-16H2,1-2H3/p+1