1-isothiocyanato-4-(4-pentylphenyl)benzene

Systemtic Name: 1-isothiocyanato-4-(4-pentylphenyl)benzene Openeye Name: 1-isothiocyanato-4-(4-pentylphenyl)benzene CAS Name: 1-isothiocyanato-4-(4-pentylphenyl)benzene IUPAC Name: 1-isothiocyanato-4-(4-pentylphenyl)benzene Traditional Name: 1-amyl-4-(4-isothiocyanatophenyl)benzene Formula: C18H19NS MolecularWeight: 281.41516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C18H19NS/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-14-20/h6-13H,2-5H2,1H3