2-(3-chloranylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 2-(3-chloranylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2-(3-chlorophenoxy)-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2-(3-chlorophenoxy)-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(3-chlorophenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2-(3-chlorophenoxy)-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S2/c1-14(28-18-10-5-9-17(23)12-18)20(27)24-21-25-26-22(30-21)29-13-16-8-4-7-15-6-2-3-11-19(15)16/h2-12,14H,13H2,1H3,(H,24,25,27)