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

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[5-(1H-indol-3-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C21H15N5O2S2 MolecularWeight: 433.5061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(S3)C(=O)O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H15N5O2S2/c27-19(28)17-12-23-21(29-17)30-20-25-24-18(26(20)14-6-2-1-3-7-14)10-13-11-22-16-9-5-4-8-15(13)16/h1-9,11-12,22H,10H2,(H,27,28)