N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-(methylthio)-3-nitro-benzamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O3S2/c1-11-4-5-13(8-12(11)2)15-10-27-19(20-15)21-18(23)14-6-7-17(26-3)16(9-14)22(24)25/h4-10H,1-3H3,(H,20,21,23)