N-isothiocyanato-4-methyl-N-pentyl-aniline

Systemtic Name: N-isothiocyanato-4-methyl-N-pentyl-aniline Openeye Name: N-isothiocyanato-4-methyl-N-pentyl-aniline CAS Name: N-isothiocyanato-4-methyl-N-pentylaniline IUPAC Name: N-isothiocyanato-4-methyl-N-pentylaniline Traditional Name: amyl-isothiocyanato-(p-tolyl)amine Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/c1-3-4-5-10-15(14-11-16)13-8-6-12(2)7-9-13/h6-9H,3-5,10H2,1-2H3