5-chloranyl-3-[(2-methyl-5-nitro-phenyl)methyl]-1-benzothiophene

Systemtic Name: 5-chloranyl-3-[(2-methyl-5-nitro-phenyl)methyl]-1-benzothiophene Openeye Name: 5-chloro-3-[(2-methyl-5-nitro-phenyl)methyl]benzothiophene CAS Name: 5-chloro-3-[(2-methyl-5-nitrophenyl)methyl]-1-benzothiophene IUPAC Name: 5-chloro-3-[(2-methyl-5-nitrophenyl)methyl]-1-benzothiophene Traditional Name: 5-chloro-3-(2-methyl-5-nitro-benzyl)benzothiophene Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO2S/c1-10-2-4-14(18(19)20)7-11(10)6-12-9-21-16-5-3-13(17)8-15(12)16/h2-5,7-9H,6H2,1H3