N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCSC

InChI

InChI=1S/C21H19N3O3S3/c1-12-8-16-18(9-13(12)2)30-21(23(16)6-7-28-3)22-20(25)19-11-14-10-15(24(26)27)4-5-17(14)29-19/h4-5,8-11H,6-7H2,1-3H3