2-tert-butyl-3-(4-nitrophenyl)sulfanyl-1-benzothiophene

Systemtic Name: 2-tert-butyl-3-(4-nitrophenyl)sulfanyl-1-benzothiophene Openeye Name: 2-tert-butyl-3-(4-nitrophenyl)sulfanyl-benzothiophene CAS Name: 2-tert-butyl-3-[(4-nitrophenyl)thio]-1-benzothiophene IUPAC Name: 2-tert-butyl-3-(4-nitrophenyl)sulfanyl-1-benzothiophene Traditional Name: 2-tert-butyl-3-[(4-nitrophenyl)thio]benzothiophene Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO2S2/c1-18(2,3)17-16(14-6-4-5-7-15(14)23-17)22-13-10-8-12(9-11-13)19(20)21/h4-11H,1-3H3