2-(3-tert-butyl-4-methoxy-phenyl)sulfanyl-1-chloranyl-3-methyl-5-nitro-benzene

Systemtic Name: 2-(3-tert-butyl-4-methoxy-phenyl)sulfanyl-1-chloranyl-3-methyl-5-nitro-benzene Openeye Name: 2-(3-tert-butyl-4-methoxy-phenyl)sulfanyl-1-chloro-3-methyl-5-nitro-benzene CAS Name: 2-[(3-tert-butyl-4-methoxyphenyl)thio]-1-chloro-3-methyl-5-nitrobenzene IUPAC Name: 2-(3-tert-butyl-4-methoxyphenyl)sulfanyl-1-chloro-3-methyl-5-nitrobenzene Traditional Name: 2-[(3-tert-butyl-4-methoxy-phenyl)thio]-1-chloro-3-methyl-5-nitro-benzene Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC(=C(C=C2)OC)C(C)(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC(=C(C=C2)OC)C(C)(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClNO3S/c1-11-8-12(20(21)22)9-15(19)17(11)24-13-6-7-16(23-5)14(10-13)18(2,3)4/h6-10H,1-5H3