bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-[(E)-3-(dimethylamino)prop-1-enyl]sulfanylaniline

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-[(E)-3-(dimethylamino)prop-1-enyl]sulfanylaniline Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-[(E)-3-(dimethylamino)prop-1-enyl]sulfanylaniline CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-[[(E)-3-(dimethylamino)prop-1-enyl]thio]aniline IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-[(E)-3-(dimethylamino)prop-1-enyl]sulfanylaniline Traditional Name: [(E)-3-[(4-aminophenyl)thio]allyl]-dimethyl-amine; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C17H20N2S MolecularWeight: 284.4191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CSC1=CC=C(C=C1)N.C1=CC2=C1C=C2

Isomeric SMILES

CN(C)C/C=C/SC1=CC=C(C=C1)N.C1=CC2=C1C=C2

InChI

InChI=1S/C11H16N2S.C6H4/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11;1-2-6-4-3-5(1)6/h3-7,9H,8,12H2,1-2H3;1-4H/b9-3+;