5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione

Systemtic Name: 5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Openeye Name: 5-(2-thienyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione CAS Name: 5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione IUPAC Name: 5-thiophen-2-yl-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione Traditional Name: 5-(2-thienyl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-quinone Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC=CS3

Isomeric SMILES

C1C(C(C(=O)CC1=O)N2C=NC=N2)C3=CC=CS3

InChI

InChI=1S/C12H11N3O2S/c16-8-4-9(11-2-1-3-18-11)12(10(17)5-8)15-7-13-6-14-15/h1-3,6-7,9,12H,4-5H2