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

Systemtic Name: N-(4-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C18H17BrN4OS2 MolecularWeight: 449.38778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CS3

InChI

InChI=1S/C18H17BrN4OS2/c1-2-9-23-16(11-15-4-3-10-25-15)21-22-18(23)26-12-17(24)20-14-7-5-13(19)6-8-14/h2-8,10H,1,9,11-12H2,(H,20,24)