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

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O3S3 MolecularWeight: 443.56228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CCSC

InChI

InChI=1S/C20H17N3O3S3/c1-12-3-5-15-17(9-12)29-20(22(15)7-8-27-2)21-19(24)18-11-13-10-14(23(25)26)4-6-16(13)28-18/h3-6,9-11H,7-8H2,1-2H3