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

Systemtic Name: N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(3-chlorophenyl)-5-methyl-2-thiazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O5S/c1-9-14(22(25)26)7-12(8-15(9)23(27)28)17(24)21-18-20-16(10(2)29-18)11-4-3-5-13(19)6-11/h3-8H,1-2H3,(H,20,21,24)