[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholin-4-yl-methanone Openeye Name: [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholino-methanone CAS Name: [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholin-4-ylmethanone Traditional Name: [4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-thiomorpholino-methanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCSCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C21H21N3O2S/c1-26-18-4-2-3-17(13-18)20-14-19(22-23-20)15-5-7-16(8-6-15)21(25)24-9-11-27-12-10-24/h2-8,13-14H,9-12H2,1H3,(H,22,23)