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

Systemtic Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-p-anisyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-4-24-20(14-17-8-6-5-7-9-17)22-25(21(24)27)16-23(2)15-18-10-12-19(26-3)13-11-18/h5-13H,4,14-16H2,1-3H3/p+1