1-butyl-4-isothiocyanato-benzene

Systemtic Name: 1-butyl-4-isothiocyanato-benzene Openeye Name: 1-butyl-4-isothiocyanato-benzene CAS Name: 1-butyl-4-isothiocyanatobenzene IUPAC Name: 1-butyl-4-isothiocyanatobenzene Traditional Name: 1-butyl-4-isothiocyanato-benzene Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3