N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C14H17N5O3S2/c20-13(9-23-14-15-10-16-18-14)17-11-3-5-12(6-4-11)24(21,22)19-7-1-2-8-19/h3-6,10H,1-2,7-9H2,(H,17,20)(H,15,16,18)