N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C23H24N4O4S2 MolecularWeight: 484.59106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H24N4O4S2/c1-4-29-18-11-17(12-19(30-5-2)20(18)31-6-3)21(28)25-22-26-27-23(33-22)32-14-16-9-7-15(13-24)8-10-16/h7-12H,4-6,14H2,1-3H3,(H,25,26,28)