N-(2-methyl-3-nitro-phenyl)-3,4-dihydro-1H-isothiochromen-4-amine

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3,4-dihydro-1H-isothiochromen-4-amine Openeye Name: N-(2-methyl-3-nitro-phenyl)isothiochroman-4-amine CAS Name: N-(2-methyl-3-nitrophenyl)-3,4-dihydro-1H-2-benzothiopyran-4-amine IUPAC Name: N-(2-methyl-3-nitrophenyl)-3,4-dihydro-1H-isothiochromen-4-amine Traditional Name: isothiochroman-4-yl-(2-methyl-3-nitro-phenyl)amine Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC2CSCC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC2CSCC3=CC=CC=C23

InChI

InChI=1S/C16H16N2O2S/c1-11-14(7-4-8-16(11)18(19)20)17-15-10-21-9-12-5-2-3-6-13(12)15/h2-8,15,17H,9-10H2,1H3