3-[(4-aminophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-5-benzyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-aminophenyl)methylthio]-5-(phenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-5-benzyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-aminobenzyl)thio]-5-benzyl-1,2,4-triazol-4-yl]amine Formula: C16H17N5S MolecularWeight: 311.40468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C16H17N5S/c17-14-8-6-13(7-9-14)11-22-16-20-19-15(21(16)18)10-12-4-2-1-3-5-12/h1-9H,10-11,17-18H2