5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-benzyl-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzoxazol-2-ylmethylthio)-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-benzyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-benzyl-amine Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H14N4OS2/c1-2-6-12(7-3-1)10-18-16-20-21-17(24-16)23-11-15-19-13-8-4-5-9-14(13)22-15/h1-9H,10-11H2,(H,18,20)