N-(4-cyanophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H19N5O2S MolecularWeight: 465.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H19N5O2S/c1-17-21-9-5-6-10-22(21)33-24(17)25-29-30-26(31(25)20-7-3-2-4-8-20)34-16-23(32)28-19-13-11-18(15-27)12-14-19/h2-14H,16H2,1H3,(H,28,32)