N-(4-methoxyphenyl)-5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-methoxyphenyl)-5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methoxyphenyl)-5-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methoxyphenyl)-5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N5O3S2/c1-3-4-12-9-14(24)21-18(20-12)27-10-15-22-23-17(28-15)16(25)19-11-5-7-13(26-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,19,25)(H,20,21,24)