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

Systemtic Name: N-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(2-aminothiazol-4-yl)-4-methyl-thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(2-amino-4-thiazolyl)-4-methyl-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(2-aminothiazol-4-yl)-4-methyl-thiazol-2-yl]-4-nitro-benzamide Formula: C14H11N5O3S2 MolecularWeight: 361.39884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)N

InChI

InChI=1S/C14H11N5O3S2/c1-7-11(10-6-23-13(15)17-10)24-14(16-7)18-12(20)8-2-4-9(5-3-8)19(21)22/h2-6H,1H3,(H2,15,17)(H,16,18,20)