4-(4-tert-butylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4-tert-butylphenyl)thio]-3-nitrobenzamide IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(4-tert-butylphenyl)thio]-3-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-17(2,3)12-5-7-13(8-6-12)23-15-9-4-11(16(18)20)10-14(15)19(21)22/h4-10H,1-3H3,(H2,18,20)