3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C10H9ClN4O2S MolecularWeight: 284.72206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=NNC(=N3)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=NNC(=N3)N)Cl

InChI

InChI=1S/C10H9ClN4O2S/c11-6-1-5(2-7-8(6)17-4-16-7)3-18-10-13-9(12)14-15-10/h1-2H,3-4H2,(H3,12,13,14,15)