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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butyramide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N5OS/c1-3-5-9-17-12-14-19(15-13-17)25-21(29)20(4-2)28-22(24)26-27-23(28)30-16-18-10-7-6-8-11-18/h6-8,10-15,20H,3-5,9,16H2,1-2H3,(H2,24,26)(H,25,29)