8-bromanyl-3-(phenylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-bromanyl-3-(phenylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-8-bromo-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-bromo-3-(phenylmethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-8-bromo-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-8-bromo-5H-[1,2,4]triazin[5,6-b]indole Formula: C16H11BrN4S MolecularWeight: 371.25434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2

InChI

InChI=1S/C16H11BrN4S/c17-11-6-7-13-12(8-11)14-15(18-13)19-16(21-20-14)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,21)