2-[(Z)-3H-1,3-benzothiazol-2-ylidene-(2-nitrophenyl)sulfanyl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(Z)-3H-1,3-benzothiazol-2-ylidene-(2-nitrophenyl)sulfanyl-methyl]-1,3-benzothiazole Openeye Name: 2-[(Z)-3H-1,3-benzothiazol-2-ylidene-(2-nitrophenyl)sulfanyl-methyl]-1,3-benzothiazole CAS Name: 2-[(Z)-3H-1,3-benzothiazol-2-ylidene-[(2-nitrophenyl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(Z)-3H-1,3-benzothiazol-2-ylidene-(2-nitrophenyl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[(Z)-3H-1,3-benzothiazol-2-ylidene-[(2-nitrophenyl)thio]methyl]-1,3-benzothiazole Formula: C21H13N3O2S3 MolecularWeight: 435.54182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C3=NC4=CC=CC=C4S3)SC5=CC=CC=C5[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C3=NC4=CC=CC=C4S3)/SC5=CC=CC=C5[N+](=O)[O-])/S2

InChI

InChI=1S/C21H13N3O2S3/c25-24(26)15-9-3-6-12-18(15)27-19(20-22-13-7-1-4-10-16(13)28-20)21-23-14-8-2-5-11-17(14)29-21/h1-12,22H/b20-19-