(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C20H20N2OS2 MolecularWeight: 368.5156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=C(S2)CCCC3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=C(S2)CCCC3)C)SC4=CC=CC=C4

InChI

InChI=1S/C20H20N2OS2/c1-13-19(24-16-9-4-3-5-10-16)14(2)22(21-13)20(23)18-12-15-8-6-7-11-17(15)25-18/h3-5,9-10,12H,6-8,11H2,1-2H3