N-(4-methylphenyl)-5-[[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methylphenyl)-5-[[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H19N5O2S2/c1-13-4-6-15(7-5-13)22-18(26)19-24-23-17(28-19)12-27-11-16(25)21-10-14-3-2-8-20-9-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,26)