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

Systemtic Name: 6-(3-nitro-1,2,4-triazol-1-yl)-3,5-dithiophen-2-yl-cyclohex-2-en-1-one Openeye Name: 6-(3-nitro-1,2,4-triazol-1-yl)-3,5-bis(2-thienyl)cyclohex-2-en-1-one CAS Name: 6-(3-nitro-1,2,4-triazol-1-yl)-3,5-dithiophen-2-yl-1-cyclohex-2-enone IUPAC Name: 6-(3-nitro-1,2,4-triazol-1-yl)-3,5-dithiophen-2-ylcyclohex-2-en-1-one Traditional Name: 6-(3-nitro-1,2,4-triazol-1-yl)-3,5-bis(2-thienyl)cyclohex-2-en-1-one Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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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=CS4

Isomeric SMILES

C1C(C(C(=O)C=C1C2=CC=CS2)N3C=NC(=N3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C16H12N4O3S2/c21-12-8-10(13-3-1-5-24-13)7-11(14-4-2-6-25-14)15(12)19-9-17-16(18-19)20(22)23/h1-6,8-9,11,15H,7H2