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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-6-nitro-1,3-benzothiazole Formula: C21H13N5O2S2 MolecularWeight: 431.49022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O2S2/c27-26(28)16-11-12-17-18(13-16)29-21(22-17)30-20-24-23-19(14-7-3-1-4-8-14)25(20)15-9-5-2-6-10-15/h1-13H