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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C20H20N6OS2/c1-13-7-8-16-15(11-13)22-19(29-16)23-17(27)12-26-18(21)24-25-20(26)28-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,21,24)(H,22,23,27)