N-[4-(4-bromanylphenoxy)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-bromophenoxy)phenyl]acetamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-bromophenoxy)phenyl]acetamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-3-12-25-14(2)23-24-20(25)28-13-19(26)22-16-6-10-18(11-7-16)27-17-8-4-15(21)5-9-17/h3-11H,1,12-13H2,2H3,(H,22,26)