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

Systemtic Name: (4-hexylphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Openeye Name: (4-hexylphenyl)-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-hexylphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone IUPAC Name: (4-hexylphenyl)-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Traditional Name: (4-hexylphenyl)-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-5-6-7-9-17-11-13-18(14-12-17)21(26)25-20(19-10-8-15-28-19)23-22(24-25)27-16(2)3/h8,10-16H,4-7,9H2,1-3H3