2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitro-aniline

Systemtic Name: 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitro-aniline Openeye Name: 2-methyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-3-nitro-aniline CAS Name: 2-methyl-N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-3-nitroaniline IUPAC Name: 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline Traditional Name: (2-methyl-3-nitro-phenyl)-[[5-[(methylthio)methyl]-2-furyl]methyl]amine Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(O2)CSC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(O2)CSC

InChI

InChI=1S/C14H16N2O3S/c1-10-13(4-3-5-14(10)16(17)18)15-8-11-6-7-12(19-11)9-20-2/h3-7,15H,8-9H2,1-2H3