6-(5-nitro-1,2,3,4-tetrazol-2-yl)-3-phenyl-5-thiophen-2-yl-cyclohex-2-en-1-one

Systemtic Name: 6-(5-nitro-1,2,3,4-tetrazol-2-yl)-3-phenyl-5-thiophen-2-yl-cyclohex-2-en-1-one Openeye Name: 6-(5-nitrotetrazol-2-yl)-3-phenyl-5-(2-thienyl)cyclohex-2-en-1-one CAS Name: 6-(5-nitro-2-tetrazolyl)-3-phenyl-5-thiophen-2-yl-1-cyclohex-2-enone IUPAC Name: 6-(5-nitrotetrazol-2-yl)-3-phenyl-5-thiophen-2-ylcyclohex-2-en-1-one Traditional Name: 6-(5-nitrotetrazol-2-yl)-3-phenyl-5-(2-thienyl)cyclohex-2-en-1-one Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H13N5O3S/c23-14-10-12(11-5-2-1-3-6-11)9-13(15-7-4-8-26-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2