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

Systemtic Name: [4-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(5-chlorobenzothiophen-3-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,5-dimethyl-1-pyrazolyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(5-chloro-1-benzothiophen-3-yl)methyl]-3,5-dimethylpyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(5-chlorobenzothiophen-3-yl)methyl]-3,5-dimethyl-pyrazol-1-yl]-(4-nitrophenyl)methanone Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-12-18(9-15-11-29-20-8-5-16(22)10-19(15)20)13(2)24(23-12)21(26)14-3-6-17(7-4-14)25(27)28/h3-8,10-11H,9H2,1-2H3