4-(4-methylphenyl)sulfanyl-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)-N-(1-tetrahydrofuran-2-ylethyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[1-(2-oxolanyl)ethyl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide Traditional Name: 3-nitro-4-(p-tolylthio)-N-[1-(tetrahydrofuryl)ethyl]benzamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC(C)C3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC(C)C3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-13-5-8-16(9-6-13)27-19-10-7-15(12-17(19)22(24)25)20(23)21-14(2)18-4-3-11-26-18/h5-10,12,14,18H,3-4,11H2,1-2H3,(H,21,23)