3-methylsulfanyl-3-(pyridin-3-ylmethylamino)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-methylsulfanyl-3-(pyridin-3-ylmethylamino)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-methylsulfanyl-3-(3-pyridylmethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: 3-(methylthio)-2-[oxo(thiophen-2-yl)methyl]-3-(3-pyridinylmethylamino)-2-propenenitrile IUPAC Name: 3-methylsulfanyl-3-(pyridin-3-ylmethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: 3-(methylthio)-3-(3-pyridylmethylamino)-2-(2-thenoyl)acrylonitrile Formula: C15H13N3OS2 MolecularWeight: 315.41322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)C1=CC=CS1)NCC2=CN=CC=C2

Isomeric SMILES

CSC(=C(C#N)C(=O)C1=CC=CS1)NCC2=CN=CC=C2

InChI

InChI=1S/C15H13N3OS2/c1-20-15(18-10-11-4-2-6-17-9-11)12(8-16)14(19)13-5-3-7-21-13/h2-7,9,18H,10H2,1H3