N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-(4-fluorobenzyl)-4-(methylthio)-3-nitro-benzamide Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O3S/c1-25-17-9-4-13(10-16(17)21(23)24)18(22)20(15-7-8-15)11-12-2-5-14(19)6-3-12/h2-6,9-10,15H,7-8,11H2,1H3