2-[(3-azanyl-1,2,4-triazol-1-yl)-(phenylmethyl)amino]ethanethiol

Systemtic Name: 2-[(3-azanyl-1,2,4-triazol-1-yl)-(phenylmethyl)amino]ethanethiol Openeye Name: 2-[(3-amino-1,2,4-triazol-1-yl)-benzyl-amino]ethanethiol CAS Name: 2-[(3-amino-1,2,4-triazol-1-yl)-(phenylmethyl)amino]ethanethiol IUPAC Name: 2-[(3-amino-1,2,4-triazol-1-yl)-benzylamino]ethanethiol Traditional Name: 2-[(3-amino-1,2,4-triazol-1-yl)-benzyl-amino]ethanethiol Formula: C11H15N5S MolecularWeight: 249.3353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCS)N2C=NC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCS)N2C=NC(=N2)N

InChI

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