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

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C25H17N5O2S2 MolecularWeight: 483.56478

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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)C(=O)O)CC5=CNC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)C(=O)O)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C25H17N5O2S2/c31-23(32)15-10-11-20-21(12-15)33-25(27-20)34-24-29-28-22(30(24)17-6-2-1-3-7-17)13-16-14-26-19-9-5-4-8-18(16)19/h1-12,14,26H,13H2,(H,31,32)