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

Systemtic Name: 5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[[1-(m-tolyl)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:

CC1=CC(=CC=C1)N2C=CN=C2SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

InChI

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