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

Systemtic Name: 6-(3-nitro-1,2,4-triazol-1-yl)-5-phenyl-3-thiophen-2-yl-cyclohex-2-en-1-one Openeye Name: 6-(3-nitro-1,2,4-triazol-1-yl)-5-phenyl-3-(2-thienyl)cyclohex-2-en-1-one CAS Name: 6-(3-nitro-1,2,4-triazol-1-yl)-5-phenyl-3-thiophen-2-yl-1-cyclohex-2-enone IUPAC Name: 6-(3-nitro-1,2,4-triazol-1-yl)-5-phenyl-3-thiophen-2-ylcyclohex-2-en-1-one Traditional Name: 6-(3-nitro-1,2,4-triazol-1-yl)-5-phenyl-3-(2-thienyl)cyclohex-2-en-1-one Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CS2)N3C=NC(=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(C(C(=O)C=C1C2=CC=CS2)N3C=NC(=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O3S/c23-15-10-13(16-7-4-8-26-16)9-14(12-5-2-1-3-6-12)17(15)21-11-19-18(20-21)22(24)25/h1-8,10-11,14,17H,9H2