(3-chloranyl-1-benzothiophen-2-yl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C20H15ClN2OS2 MolecularWeight: 398.9289

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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

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C)SC4=CC=CC=C4

InChI

InChI=1S/C20H15ClN2OS2/c1-12-18(25-14-8-4-3-5-9-14)13(2)23(22-12)20(24)19-17(21)15-10-6-7-11-16(15)26-19/h3-11H,1-2H3