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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C24H30N6O3S2 MolecularWeight: 514.6634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C24H30N6O3S2/c1-2-21(30-23(25)27-28-24(30)34-17-14-18-8-4-3-5-9-18)22(31)26-19-10-12-20(13-11-19)35(32,33)29-15-6-7-16-29/h3-5,8-13,21H,2,6-7,14-17H2,1H3,(H2,25,27)(H,26,31)