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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

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