3-butylsulfanyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-butylsulfanyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-benzyl-3-butylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(butylthio)-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-benzyl-3-butylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-benzyl-3-(butylthio)-[1,2,4]triazin[5,6-b]indole Formula: C20H20N4S MolecularWeight: 348.4646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C20H20N4S/c1-2-3-13-25-20-21-19-18(22-23-20)16-11-7-8-12-17(16)24(19)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3