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

Systemtic Name: N-(4-bromophenyl)-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H19BrN4OS2 MolecularWeight: 499.44646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C22H19BrN4OS2/c23-17-8-10-18(11-9-17)24-20(28)15-30-22-26-25-21(19-7-4-14-29-19)27(22)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,24,28)