4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(2-amino-4-methyl-thiazol-5-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(2-amino-4-methyl-5-thiazolyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(2-amino-4-methyl-thiazol-5-yl)thio]methyl]-3-nitro-benzamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c1-6-11(21-12(14)15-6)20-5-8-3-2-7(10(13)17)4-9(8)16(18)19/h2-4H,5H2,1H3,(H2,13,17)(H2,14,15)