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

Systemtic Name: N-(4-ethylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-ethylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-ethylphenyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-ethylphenyl)-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C29H31N5O3S2/c1-3-22-14-16-24(17-15-22)30-28(35)21(2)38-29-32-31-27(34(29)25-11-5-4-6-12-25)23-10-9-13-26(20-23)39(36,37)33-18-7-8-19-33/h4-6,9-17,20-21H,3,7-8,18-19H2,1-2H3,(H,30,35)