[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-[(3-methylisoxazol-5-yl)methyl]piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-12-9-14(25-18-12)11-19-5-7-20(8-6-19)17(22)13-3-4-16(26-2)15(10-13)21(23)24/h3-4,9-10H,5-8,11H2,1-2H3