4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C17H15N5O3S2 MolecularWeight: 401.4627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N5O3S2/c1-9-4-3-5-12(10(9)2)19-16-20-21-17(27-16)26-14-7-6-11(15(18)23)8-13(14)22(24)25/h3-8H,1-2H3,(H2,18,23)(H,19,20)