N-(2-methyl-5-nitro-phenyl)-3,4-dihydro-1H-isothiochromen-4-amine

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3,4-dihydro-1H-isothiochromen-4-amine Openeye Name: N-(2-methyl-5-nitro-phenyl)isothiochroman-4-amine CAS Name: N-(2-methyl-5-nitrophenyl)-3,4-dihydro-1H-2-benzothiopyran-4-amine IUPAC Name: N-(2-methyl-5-nitrophenyl)-3,4-dihydro-1H-isothiochromen-4-amine Traditional Name: isothiochroman-4-yl-(2-methyl-5-nitro-phenyl)amine Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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