2-cyclopropyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-[2-[(4-nitrophenyl)thio]propanoyl]piperazino]oxazole-4-carbonitrile Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(N=C(O2)C3CC3)C#N)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(N=C(O2)C3CC3)C#N)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-13(30-16-6-4-15(5-7-16)25(27)28)19(26)23-8-10-24(11-9-23)20-17(12-21)22-18(29-20)14-2-3-14/h4-7,13-14H,2-3,8-11H2,1H3