N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C19H17BrN4O2S2 MolecularWeight: 477.39788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C19H17BrN4O2S2/c1-2-9-24-17(11-21-18(26)16-4-3-10-27-16)22-23-19(24)28-12-15(25)13-5-7-14(20)8-6-13/h2-8,10H,1,9,11-12H2,(H,21,26)