2-chloranyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-nitro-benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-13-3-4-14(2)20(11-13)28-17-8-5-15(6-9-17)23-21(25)18-10-7-16(24(26)27)12-19(18)22/h3-12H,1-2H3,(H,23,25)