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

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-6-nitro-1,3-benzothiazole Formula: C24H16N6O2S2 MolecularWeight: 484.55284

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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-])CC5=CNC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C24H16N6O2S2/c31-30(32)17-10-11-20-21(13-17)33-24(26-20)34-23-28-27-22(29(23)16-6-2-1-3-7-16)12-15-14-25-19-9-5-4-8-18(15)19/h1-11,13-14,25H,12H2