4-butyl-1-isothiocyanato-2-methyl-benzene

Systemtic Name: 4-butyl-1-isothiocyanato-2-methyl-benzene Openeye Name: 4-butyl-1-isothiocyanato-2-methyl-benzene CAS Name: 4-butyl-1-isothiocyanato-2-methylbenzene IUPAC Name: 4-butyl-1-isothiocyanato-2-methylbenzene Traditional Name: 4-butyl-1-isothiocyanato-2-methyl-benzene Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NS/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3