N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydroacenaphthylene-5-carboxamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydroacenaphthylene-5-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1,2-dihydroacenaphthylene-5-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]acenaphthene-5-carboxamide Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C22H17N3OS2/c26-20(18-12-11-16-10-9-15-7-4-8-17(18)19(15)16)23-21-24-25-22(28-21)27-13-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,23,24,26)