2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N5O3S2/c1-7-8(2)16-13(15-7)23-6-12(20)18-14-17-10-4-3-9(19(21)22)5-11(10)24-14/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18,20)