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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)acetamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)acetamide Formula: C30H33N5O3S2 MolecularWeight: 575.74472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C30H33N5O3S2/c1-3-22(2)26-16-7-8-17-27(26)31-28(36)21-39-30-33-32-29(35(30)24-13-5-4-6-14-24)23-12-11-15-25(20-23)40(37,38)34-18-9-10-19-34/h4-8,11-17,20,22H,3,9-10,18-19,21H2,1-2H3,(H,31,36)