4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzonitrile CAS Name: 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]benzonitrile IUPAC Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzonitrile Traditional Name: 4-[(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)methyl]benzonitrile Formula: C17H11N5S MolecularWeight: 317.36774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H11N5S/c18-9-11-5-7-12(8-6-11)10-23-17-20-16-15(21-22-17)13-3-1-2-4-14(13)19-16/h1-8H,10H2,(H,19,20,22)