S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-(phenylmethyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-(phenylmethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-benzyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-(phenylmethyl)amino]ethyl] ester IUPAC Name: S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-benzylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-benzyl-amino]ethyl] ester Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NN1)N(CCSC(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=NN1)N(CCSC(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C15H19N5O2S/c1-11(21)16-14-17-15(19-18-14)20(8-9-23-12(2)22)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,18,19,21)