S-(4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carbothioate

Systemtic Name: S-(4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carbothioate Openeye Name: S-(4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carbothioate CAS Name: 5-(butylthio)-2-thiophenecarbothioic acid S-(4-isothiocyanatophenyl) ester IUPAC Name: S-(4-isothiocyanatophenyl) 5-butylsulfanylthiophene-2-carbothioate Traditional Name: 5-(butylthio)thiophene-2-carbothioic acid S-(4-isothiocyanatophenyl) ester Formula: C16H15NOS4 MolecularWeight: 365.5564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(S1)C(=O)SC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCSC1=CC=C(S1)C(=O)SC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H15NOS4/c1-2-3-10-20-15-9-8-14(22-15)16(18)21-13-6-4-12(5-7-13)17-11-19/h4-9H,2-3,10H2,1H3