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

Systemtic Name: N-(4-acetamidophenyl)-2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butyramide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N6O2S/c1-3-19(20(30)25-18-11-9-17(10-12-18)24-15(2)29)28-21(23)26-27-22(28)31-14-13-16-7-5-4-6-8-16/h4-12,19H,3,13-14H2,1-2H3,(H2,23,26)(H,24,29)(H,25,30)