2-(benzotriazol-1-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(1-benzotriazolyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C17H14N6OS2 MolecularWeight: 382.46266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H14N6OS2/c24-15(10-23-14-9-5-4-8-13(14)19-22-23)18-16-20-21-17(26-16)25-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,24)