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

Systemtic Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C28H29N5O3S3 MolecularWeight: 579.75656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=C(N3C4=CC=CC=C4)CSC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=C(N3C4=CC=CC=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3S3/c1-21(27(34)29-22-14-16-25(17-15-22)39(35,36)32-18-8-9-19-32)38-28-31-30-26(20-37-24-12-6-3-7-13-24)33(28)23-10-4-2-5-11-23/h2-7,10-17,21H,8-9,18-20H2,1H3,(H,29,34)