5-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[(1-methyl-5-phenyl-imidazol-2-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC2=NN=C(S2)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS2/c1-26-17(16-10-6-3-7-11-16)13-23-21(26)28-14-18-24-25-20(29-18)19(27)22-12-15-8-4-2-5-9-15/h2-11,13H,12,14H2,1H3,(H,22,27)