2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H13N7O4S MolecularWeight: 411.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O4S/c25-15(18-11-5-7-12(8-6-11)24(26)27)10-29-17-21-20-16(28-17)9-23-14-4-2-1-3-13(14)19-22-23/h1-8H,9-10H2,(H,18,25)