N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-thianamine IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thian-4-amine Traditional Name: [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C13H15ClN4S MolecularWeight: 294.803

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