2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methylthiazol-2-yl)-5-nitro-benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-(4-methyl-2-thiazolyl)-5-nitrobenzamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-N-(4-methylthiazol-2-yl)-5-nitro-benzamide Formula: C13H11N7O3S2 MolecularWeight: 377.40154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C13H11N7O3S2/c1-7-6-24-12(14-7)15-11(21)9-5-8(20(22)23)3-4-10(9)25-13-16-17-18-19(13)2/h3-6H,1-2H3,(H,14,15,21)