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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)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)N2CCCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

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