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

Systemtic Name: 2-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(2-amino-5-phenyl-3-thienyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(2-amino-5-phenyl-3-thiophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(2-amino-5-phenylthiophen-3-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(2-amino-5-phenyl-3-thienyl)-4-benzyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=C(SC(=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)C3=C(SC(=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5OS2/c22-18(27)13-28-21-25-24-20(26(21)12-14-7-3-1-4-8-14)16-11-17(29-19(16)23)15-9-5-2-6-10-15/h1-11H,12-13,23H2,(H2,22,27)