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

Systemtic Name: 5-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thenoate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C16H16N4O2S2/c1-10-2-4-11(5-3-10)8-14-18-19-16(20(14)17)23-9-12-6-7-13(24-12)15(21)22/h2-7H,8-9,17H2,1H3,(H,21,22)/p-1