2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]thiazole-5-carboxylic acid CAS Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-5-thiazolecarboxylic acid IUPAC Name: 2-[(4-phenethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-phenethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]thiazole-5-carboxylic acid Formula: C18H14N4O2S3 MolecularWeight: 414.52436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SC3=NC=C(S3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C18H14N4O2S3/c23-16(24)14-11-19-18(26-14)27-17-21-20-15(13-7-4-10-25-13)22(17)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,23,24)