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

Systemtic Name: 5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(3-methyl-2-quinoxalinyl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[(3-methylquinoxalin-2-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C20H17N5OS2/c1-13-19(23-16-10-6-5-9-15(16)22-13)27-12-17-24-25-20(28-17)18(26)21-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,26)