3-methyl-N-(2-methyl-4-nitro-phenyl)-1,3-thiazepan-2-imine

Systemtic Name: 3-methyl-N-(2-methyl-4-nitro-phenyl)-1,3-thiazepan-2-imine Openeye Name: 3-methyl-N-(2-methyl-4-nitro-phenyl)-1,3-thiazepan-2-imine CAS Name: 3-methyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazepan-2-imine IUPAC Name: 3-methyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazepan-2-imine Traditional Name: (2-methyl-4-nitro-phenyl)-(3-methyl-1,3-thiazepan-2-ylidene)amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCCCS2)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCCCS2)C

InChI

InChI=1S/C13H17N3O2S/c1-10-9-11(16(17)18)5-6-12(10)14-13-15(2)7-3-4-8-19-13/h5-6,9H,3-4,7-8H2,1-2H3