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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[(3-methyl-2-quinoxalinyl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-methylbenzyl)-5-[[(3-methylquinoxalin-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=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C21H19N5OS2/c1-13-7-9-15(10-8-13)11-22-19(27)21-26-25-18(29-21)12-28-20-14(2)23-16-5-3-4-6-17(16)24-20/h3-10H,11-12H2,1-2H3,(H,22,27)