2-[3-(dimethylamino)propyl]-5-[(2-methyl-4-nitro-phenyl)diazenyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[3-(dimethylamino)propyl]-5-[(2-methyl-4-nitro-phenyl)diazenyl]-1,2-benzothiazol-3-one Openeye Name: 2-[3-(dimethylamino)propyl]-5-(2-methyl-4-nitro-phenyl)azo-1,2-benzothiazol-3-one CAS Name: 2-[3-(dimethylamino)propyl]-5-(2-methyl-4-nitrophenyl)azo-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(dimethylamino)propyl]-5-[(2-methyl-4-nitrophenyl)diazenyl]-1,2-benzothiazol-3-one Traditional Name: 2-[3-(dimethylamino)propyl]-5-(2-methyl-4-nitro-phenyl)azo-1,2-benzothiazol-3-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=CC3=C(C=C2)SN(C3=O)CCCN(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=CC3=C(C=C2)SN(C3=O)CCCN(C)C

InChI

InChI=1S/C19H21N5O3S/c1-13-11-15(24(26)27)6-7-17(13)21-20-14-5-8-18-16(12-14)19(25)23(28-18)10-4-9-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3