3-ethylsulfanyl-1-(phenylmethyl)-4-prop-1-ynyl-isoquinoline

Systemtic Name: 3-ethylsulfanyl-1-(phenylmethyl)-4-prop-1-ynyl-isoquinoline Openeye Name: 1-benzyl-3-ethylsulfanyl-4-prop-1-ynyl-isoquinoline CAS Name: 3-(ethylthio)-1-(phenylmethyl)-4-prop-1-ynylisoquinoline IUPAC Name: 1-benzyl-3-ethylsulfanyl-4-prop-1-ynylisoquinoline Traditional Name: 1-benzyl-3-(ethylthio)-4-prop-1-ynyl-isoquinoline Formula: C21H19NS MolecularWeight: 317.44726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C#CC

Isomeric SMILES

CCSC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C#CC

InChI

InChI=1S/C21H19NS/c1-3-10-19-17-13-8-9-14-18(17)20(22-21(19)23-4-2)15-16-11-6-5-7-12-16/h5-9,11-14H,4,15H2,1-2H3