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

Systemtic Name: 3-chloranyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzothiophene-2-carboxamide Formula: C19H14ClN3O3S3 MolecularWeight: 463.98076

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H14ClN3O3S3/c1-27-9-8-22-13-7-6-11(23(25)26)10-15(13)29-19(22)21-18(24)17-16(20)12-4-2-3-5-14(12)28-17/h2-7,10H,8-9H2,1H3