3-[[(4-methylphenyl)amino]methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[[(4-methylphenyl)amino]methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-methylanilino)methyl]-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-4-amine Traditional Name: [4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]methyl-(p-tolyl)amine Formula: C17H19N5S MolecularWeight: 325.43126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5S/c1-13-7-9-15(10-8-13)19-11-16-20-21-17(22(16)18)23-12-14-5-3-2-4-6-14/h2-10,19H,11-12,18H2,1H3