1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[4-cyclohexyl-2-(4-methoxyphenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C2CCCCC2)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=NN(C(N1C2CCCCC2)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N3O2S/c1-15(25)20-22-24(17-10-12-18(26-2)13-11-17)21(19-9-6-14-27-19)23(20)16-7-4-3-5-8-16/h6,9-14,16,21H,3-5,7-8H2,1-2H3