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

Systemtic Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-4-24-20(14-18-11-6-5-7-12-18)22-25(21(24)26)16-23(3)15-19-13-9-8-10-17(19)2/h5-13H,4,14-16H2,1-3H3/p+1