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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+](C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+](C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-12-18-20(16(23)21(12)14-5-6-14)11-19(2)9-10-22-15-7-3-13(17)4-8-15/h3-4,7-8,14H,5-6,9-11H2,1-2H3/p+1