2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C14H18ClN4OS+ MolecularWeight: 325.83692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC[NH3+])COC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC[NH3+])COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-2-8-19-13(17-18-14(19)21-9-7-16)10-20-12-5-3-11(15)4-6-12/h2-6H,1,7-10,16H2/p+1