N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[4-benzyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[5-(2-oxolanylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[4-benzyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4CCCO4

Isomeric SMILES

C1CCC(CC1)C(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SCC4CCCO4

InChI

InChI=1S/C22H30N4O2S/c27-21(18-10-5-2-6-11-18)23-14-20-24-25-22(29-16-19-12-7-13-28-19)26(20)15-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,23,27)