N-cyclohexyl-N-methyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-N-methyl-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-N-methyl-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H33N5O3S2 MolecularWeight: 539.71262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H33N5O3S2/c1-30(22-12-4-2-5-13-22)25(33)20-36-27-29-28-26(32(27)23-14-6-3-7-15-23)21-11-10-16-24(19-21)37(34,35)31-17-8-9-18-31/h3,6-7,10-11,14-16,19,22H,2,4-5,8-9,12-13,17-18,20H2,1H3