6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(1-pyrazolyl)phenyl]methylthio]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-pyrazol-1-ylbenzyl)thio]-s-triazin-2-yl]amine Formula: C13H13N7S MolecularWeight: 299.35422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H13N7S/c14-11-17-12(15)19-13(18-11)21-8-9-2-4-10(5-3-9)20-7-1-6-16-20/h1-7H,8H2,(H4,14,15,17,18,19)