2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]piperazino]nicotinonitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H21N5O2S/c1-13-16(14(2)25-21-13)11-26-12-17(24)22-6-8-23(9-7-22)18-15(10-19)4-3-5-20-18/h3-5H,6-9,11-12H2,1-2H3