2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-propan-2-ylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-propan-2-ylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-isopropylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-propan-2-ylphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-propan-2-ylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-o-cumenyl-butyramide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C23H29N5OS/c1-4-20(21(29)25-19-13-9-8-12-18(19)16(2)3)28-22(24)26-27-23(28)30-15-14-17-10-6-5-7-11-17/h5-13,16,20H,4,14-15H2,1-3H3,(H2,24,26)(H,25,29)