N5-[1,1-bis(oxidanylidene)thian-4-yl]isoquinoline-5,8-diamine

Systemtic Name: N5-[1,1-bis(oxidanylidene)thian-4-yl]isoquinoline-5,8-diamine Openeye Name: N5-(1,1-dioxothian-4-yl)isoquinoline-5,8-diamine CAS Name: N5-(1,1-dioxo-4-thianyl)isoquinoline-5,8-diamine IUPAC Name: 5-N-(1,1-dioxothian-4-yl)isoquinoline-5,8-diamine Traditional Name: (8-amino-5-isoquinolyl)-(1,1-diketothian-4-yl)amine Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C3C=CN=CC3=C(C=C2)N

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C3C=CN=CC3=C(C=C2)N

InChI

InChI=1S/C14H17N3O2S/c15-13-1-2-14(11-3-6-16-9-12(11)13)17-10-4-7-20(18,19)8-5-10/h1-3,6,9-10,17H,4-5,7-8,15H2