[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-[(5-methylisoxazol-3-yl)methylsulfanyl]-3-pyridyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-[(5-methylisoxazol-3-yl)methylthio]-3-pyridyl]-(4-phenylpiperazino)methanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-16-14-17(23-27-16)15-28-20-19(8-5-9-22-20)21(26)25-12-10-24(11-13-25)18-6-3-2-4-7-18/h2-9,14H,10-13,15H2,1H3