2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[5-(1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[5-(benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C23H13N5O2S3 MolecularWeight: 487.57662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C23H13N5O2S3/c29-28(30)16-10-11-17-19(13-16)32-23(24-17)33-22-26-25-21(27(22)15-7-2-1-3-8-15)20-12-14-6-4-5-9-18(14)31-20/h1-13H