(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(4-hexylphenyl)methanone

Systemtic Name: (3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(4-hexylphenyl)methanone Openeye Name: [3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone CAS Name: (3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(4-hexylphenyl)methanone IUPAC Name: (3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(4-hexylphenyl)methanone Traditional Name: [3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC=CS3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-3-5-6-7-9-16-11-13-17(14-12-16)20(25)24-19(18-10-8-15-27-18)22-21(23-24)26-4-2/h8,10-15H,3-7,9H2,1-2H3