(3-chloranyl-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O3S2/c1-11-18(29-16-10-6-4-8-14(16)24(26)27)12(2)23(22-11)20(25)19-17(21)13-7-3-5-9-15(13)28-19/h3-10H,1-2H3