2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCCC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCCCC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c31-25(27-18-10-13-21-11-4-1-5-12-21)20-33-26-29-28-24(19-32-23-16-8-3-9-17-23)30(26)22-14-6-2-7-15-22/h1,3-5,8-9,11-12,16-17,22H,2,6-7,10,13-15,18-20H2,(H,27,31)