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

Systemtic Name: N-(3-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H15BrN4OS2 MolecularWeight: 471.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H15BrN4OS2/c21-14-6-4-7-15(12-14)22-18(26)13-28-20-24-23-19(17-10-5-11-27-17)25(20)16-8-2-1-3-9-16/h1-12H,13H2,(H,22,26)