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

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C14H13N7OS2 MolecularWeight: 359.42932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCC#N)N

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCC#N)N

InChI

InChI=1S/C14H13N7OS2/c1-8-2-3-10-9(6-8)17-13(24-10)18-11(22)7-21-12(16)19-20-14(21)23-5-4-15/h2-3,6H,5,7H2,1H3,(H2,16,19)(H,17,18,22)