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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S2/c1-2-13-28-22(18-9-4-3-5-10-18)25-26-23(28)32-17-21(29)24-19-11-8-12-20(16-19)33(30,31)27-14-6-7-15-27/h2-5,8-12,16H,1,6-7,13-15,17H2,(H,24,29)