2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C12H10IN5OS MolecularWeight: 399.21017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC(=N3)I

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC(=N3)I

InChI

InChI=1S/C12H10IN5OS/c1-7-2-3-8-9(4-7)20-12(15-8)16-10(19)5-18-6-14-11(13)17-18/h2-4,6H,5H2,1H3,(H,15,16,19)