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

Systemtic Name: [4-cyclopentyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [4-cyclopentyl-3-(2-ethoxy-2-oxo-ethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [4-cyclopentyl-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [4-cyclopentyl-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [4-cyclopentyl-3-(2-ethoxy-2-keto-ethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)C[NH+](C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)C[NH+](C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H30N4O2S/c1-4-27-20(26)13-19-22-24(21(28)25(19)18-11-7-8-12-18)15-23(3)14-17-10-6-5-9-16(17)2/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3/p+1