2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S2/c27-19(15-31-21-24-23-20(28)26(21)14-16-6-2-1-3-7-16)22-17-8-10-18(11-9-17)32(29,30)25-12-4-5-13-25/h1-3,6-11H,4-5,12-15H2,(H,22,27)(H,23,28)