[4-(azepan-1-yl)-3-nitro-phenyl]-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5S/c1-16-23(35-20-10-8-19(9-11-20)28(31)32)17(2)27(25-16)24(30)18-7-12-21(22(15-18)29(33)34)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14H2,1-2H3