N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-(1H-benzimidazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5OS2/c25-17(11-10-13-6-2-1-3-7-13)22-18-23-24-19(27-18)26-12-16-20-14-8-4-5-9-15(14)21-16/h1-9H,10-12H2,(H,20,21)(H,22,23,25)