N-[3-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine

Systemtic Name: N-[3-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine Openeye Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-thianamine IUPAC Name: N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine Traditional Name: [3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C13H15ClN4S MolecularWeight: 294.803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=C(C(=CC=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1CSCCC1NC2=C(C(=CC=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C13H15ClN4S/c14-11-2-1-3-12(13(11)18-9-15-8-16-18)17-10-4-6-19-7-5-10/h1-3,8-10,17H,4-7H2