4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-N-methyl-2-nitro-aniline CAS Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-2-nitro-phenyl]-methyl-amine Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-11-8-15-17(9-12(11)2)24-18(20-15)7-5-13-4-6-14(19-3)16(10-13)21(22)23/h4-10,19H,1-3H3/b7-5+