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

Systemtic Name: 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[4-allyl-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC[NH3+])COC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC[NH3+])COC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-2-13-24-19(22-23-20(24)26-14-12-21)15-25-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h2-11H,1,12-15,21H2/p+1