4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(4-methylthiazol-2-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(4-methyl-2-thiazolyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(4-methylthiazol-2-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C17H12N4O2S3 MolecularWeight: 400.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CSC(=N1)SC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C17H12N4O2S3/c1-10-9-25-17(18-10)26-16-20-19-14(13-3-2-8-24-13)21(16)12-6-4-11(5-7-12)15(22)23/h2-9H,1H3,(H,22,23)