N-(4-bromophenyl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C23H25BrN4O2S MolecularWeight: 501.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN4O2S/c1-3-5-15-30-20-12-6-17(7-13-20)22-26-27-23(28(22)14-4-2)31-16-21(29)25-19-10-8-18(24)9-11-19/h4,6-13H,2-3,5,14-16H2,1H3,(H,25,29)