3-(azocan-1-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(azocan-1-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azocan-1-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azocanylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azocan-1-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azocan-1-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c21-20(22)14-8-6-7-13(11-14)15-17-19(16(24)23-15)12-18-9-4-2-1-3-5-10-18/h6-8,11H,1-5,9-10,12H2