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

Systemtic Name: [4-cyclopentyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [4-cyclopentyl-3-(2-ethoxy-2-oxo-ethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [4-cyclopentyl-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [4-cyclopentyl-3-(2-ethoxy-2-oxoethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [4-cyclopentyl-3-(2-ethoxy-2-keto-ethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)C[NH+](C)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)C[NH+](C)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H34N4O2S/c1-5-29-22(28)14-21-24-26(23(30)27(21)20-8-6-7-9-20)16-25(4)15-18-10-12-19(13-11-18)17(2)3/h10-13,17,20H,5-9,14-16H2,1-4H3/p+1