azepan-1-yl-[4-[(4-methylphenyl)methylsulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(4-methylphenyl)methylsulfanyl]-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[3-nitro-4-(p-tolylmethylsulfanyl)phenyl]methanone CAS Name: 1-azepanyl-[4-[(4-methylphenyl)methylthio]-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-[(4-methylphenyl)methylsulfanyl]-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-methylbenzyl)thio]-3-nitro-phenyl]methanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O3S/c1-16-6-8-17(9-7-16)15-27-20-11-10-18(14-19(20)23(25)26)21(24)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13,15H2,1H3