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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C19H22ClN4OS2+ MolecularWeight: 421.98718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C19H21ClN4OS2/c1-22(10-11-25-16-8-4-14(20)5-9-16)13-23-19(26)24(15-6-7-15)18(21-23)17-3-2-12-27-17/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3/p+1