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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-16(30-21-24-22-15-26(21)18-7-3-2-4-8-18)20(27)23-17-9-11-19(12-10-17)31(28,29)25-13-5-6-14-25/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,27)