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

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S2/c1-28-18-10-5-7-16(13-18)23-14-21-24-25-22(26(21)17-8-3-2-4-9-17)30-15-19(27)20-11-6-12-29-20/h5-7,10-13,17,23H,2-4,8-9,14-15H2,1H3