2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole CAS Name: 2-[3-[(4-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole IUPAC Name: 2-[3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-[(4-nitrobenzyl)thio]-5-phenyl-1,2,4-triazol-1-yl]-1,3-benzothiazole Formula: C22H15N5O2S2 MolecularWeight: 445.5168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O2S2/c28-27(29)17-12-10-15(11-13-17)14-30-21-24-20(16-6-2-1-3-7-16)26(25-21)22-23-18-8-4-5-9-19(18)31-22/h1-13H,14H2