2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H24N6OS2 MolecularWeight: 452.59556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H24N6OS2/c1-3-17(19(29)25-21-24-16-10-9-14(2)13-18(16)31-21)28-20(23)26-27-22(28)30-12-11-15-7-5-4-6-8-15/h4-10,13,17H,3,11-12H2,1-2H3,(H2,23,26)(H,24,25,29)