2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C23H28N6O3S2 MolecularWeight: 500.63682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C23H28N6O3S2/c1-2-20(29-22(24)26-27-23(29)33-16-17-8-4-3-5-9-17)21(30)25-18-10-12-19(13-11-18)34(31,32)28-14-6-7-15-28/h3-5,8-13,20H,2,6-7,14-16H2,1H3,(H2,24,26)(H,25,30)