2-[2-[[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol

Systemtic Name: 2-[2-[[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol Openeye Name: 2-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol CAS Name: 2-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol IUPAC Name: 2-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol Traditional Name: 2-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]phenyl]ethanethiol Formula: C11H15N5S MolecularWeight: 249.3353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCS)CNC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C(=C1)CCS)CNC2=NNC(=N2)N

InChI

InChI=1S/C11H15N5S/c12-10-14-11(16-15-10)13-7-9-4-2-1-3-8(9)5-6-17/h1-4,17H,5-7H2,(H4,12,13,14,15,16)