S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) piperidine-1-carbothioate

Systemtic Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) piperidine-1-carbothioate Openeye Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) ester IUPAC Name: S-(5H-[1,2,4]triazino[5,6-b]indol-3-yl) piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid S-(5H-[1,2,4]triazin[5,6-b]indol-3-yl) ester Formula: C15H15N5OS MolecularWeight: 313.3775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C1CCN(CC1)C(=O)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C15H15N5OS/c21-15(20-8-4-1-5-9-20)22-14-17-13-12(18-19-14)10-6-2-3-7-11(10)16-13/h2-3,6-7H,1,4-5,8-9H2,(H,16,17,19)