1-heptyl-4-(4-isothiocyanatophenyl)benzene

Systemtic Name: 1-heptyl-4-(4-isothiocyanatophenyl)benzene Openeye Name: 1-heptyl-4-(4-isothiocyanatophenyl)benzene CAS Name: 1-heptyl-4-(4-isothiocyanatophenyl)benzene IUPAC Name: 1-heptyl-4-(4-isothiocyanatophenyl)benzene Traditional Name: 1-heptyl-4-(4-isothiocyanatophenyl)benzene Formula: C20H23NS MolecularWeight: 309.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C20H23NS/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-22/h8-15H,2-7H2,1H3