5-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-thenoate Formula: C14H11N4O2S2- MolecularWeight: 331.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C14H12N4O2S2/c15-18-12(9-4-2-1-3-5-9)16-17-14(18)21-8-10-6-7-11(22-10)13(19)20/h1-7H,8,15H2,(H,19,20)/p-1