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

Systemtic Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C18H15N7O4S MolecularWeight: 425.4212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O4S/c26-16(19-12-5-7-13(8-6-12)25(27)28)9-10-30-18-22-21-17(29-18)11-24-15-4-2-1-3-14(15)20-23-24/h1-8H,9-11H2,(H,19,26)