2-(4-isothiocyanatophenyl)-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-(4-isothiocyanatophenyl)-1,3,4-oxadiazole CAS Name: 2-(4-isothiocyanatophenyl)-5-(phenylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-(4-isothiocyanatophenyl)-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-(4-isothiocyanatophenyl)-1,3,4-oxadiazole Formula: C16H11N3OS2 MolecularWeight: 325.40804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C16H11N3OS2/c21-11-17-14-8-6-13(7-9-14)15-18-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-9H,10H2