3-bis(ethoxysulfanyl)phosphoryloxy-5-butoxy-thiophene-2-carbonitrile

Systemtic Name: 3-bis(ethoxysulfanyl)phosphoryloxy-5-butoxy-thiophene-2-carbonitrile Openeye Name: 3-bis(ethoxysulfanyl)phosphoryloxy-5-butoxy-thiophene-2-carbonitrile CAS Name: 3-bis(ethoxythio)phosphoryloxy-5-butoxy-2-cyanothiophene IUPAC Name: 3-bis(ethoxysulfanyl)phosphoryloxy-5-butoxythiophene-2-carbonitrile Traditional Name: 3-bis(ethoxythio)phosphoryloxy-5-butoxy-thiophene-2-carbonitrile Formula: C13H20NO5PS3 MolecularWeight: 397.470361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(S1)C#N)OP(=O)(SOCC)SOCC

Isomeric SMILES

CCCCOC1=CC(=C(S1)C#N)OP(=O)(SOCC)SOCC

InChI

InChI=1S/C13H20NO5PS3/c1-4-7-8-16-13-9-11(12(10-14)21-13)19-20(15,22-17-5-2)23-18-6-3/h9H,4-8H2,1-3H3