3-[(3-azanyl-1,2,4-triazol-1-yl)amino]-3-(2,4,6-trimethylphenyl)propane-1-thiol

Systemtic Name: 3-[(3-azanyl-1,2,4-triazol-1-yl)amino]-3-(2,4,6-trimethylphenyl)propane-1-thiol Openeye Name: 3-[(3-amino-1,2,4-triazol-1-yl)amino]-3-(2,4,6-trimethylphenyl)propane-1-thiol CAS Name: 3-[(3-amino-1,2,4-triazol-1-yl)amino]-3-(2,4,6-trimethylphenyl)-1-propanethiol IUPAC Name: 3-[(3-amino-1,2,4-triazol-1-yl)amino]-3-(2,4,6-trimethylphenyl)propane-1-thiol Traditional Name: 3-[(3-amino-1,2,4-triazol-1-yl)amino]-3-mesityl-propane-1-thiol Formula: C14H21N5S MolecularWeight: 291.41504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CCS)NN2C=NC(=N2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(CCS)NN2C=NC(=N2)N)C

InChI

InChI=1S/C14H21N5S/c1-9-6-10(2)13(11(3)7-9)12(4-5-20)17-19-8-16-14(15)18-19/h6-8,12,17,20H,4-5H2,1-3H3,(H2,15,18)