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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]ethylamine Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCCN)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