3-[[[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]amino]methyl]phenol

Systemtic Name: 3-[[[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]amino]methyl]phenol Openeye Name: 3-[[4-(1H-1,2,4-triazol-5-ylsulfanyl)anilino]methyl]phenol CAS Name: 3-[[4-(1H-1,2,4-triazol-5-ylthio)anilino]methyl]phenol IUPAC Name: 3-[[4-(1H-1,2,4-triazol-5-ylsulfanyl)anilino]methyl]phenol Traditional Name: 3-[[4-(1H-1,2,4-triazol-5-ylthio)anilino]methyl]phenol Formula: C15H14N4OS MolecularWeight: 298.36286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C15H14N4OS/c20-13-3-1-2-11(8-13)9-16-12-4-6-14(7-5-12)21-15-17-10-18-19-15/h1-8,10,16,20H,9H2,(H,17,18,19)