2-chloranyl-5-[3-sulfanidyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 2-chloranyl-5-[3-sulfanidyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-sulfido-5-(2-thienylmethyl)-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-sulfido-5-(thiophen-2-ylmethyl)-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-sulfido-5-(thiophen-2-ylmethyl)-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-sulfido-5-(2-thenyl)-1,2,4-triazol-4-yl]benzoate Formula: C14H8ClN3O2S2-2 MolecularWeight: 349.81522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2C3=CC(=C(C=C3)Cl)C(=O)[O-])[S-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2C3=CC(=C(C=C3)Cl)C(=O)[O-])[S-]

InChI

InChI=1S/C14H10ClN3O2S2/c15-11-4-3-8(6-10(11)13(19)20)18-12(16-17-14(18)21)7-9-2-1-5-22-9/h1-6H,7H2,(H,17,21)(H,19,20)/p-2