2-isothiocyanato-1,3-di(pentan-2-yl)benzene

Systemtic Name: 2-isothiocyanato-1,3-di(pentan-2-yl)benzene Openeye Name: 2-isothiocyanato-1,3-bis(1-methylbutyl)benzene CAS Name: 2-isothiocyanato-1,3-di(pentan-2-yl)benzene IUPAC Name: 2-isothiocyanato-1,3-di(pentan-2-yl)benzene Traditional Name: 2-isothiocyanato-1,3-bis(1-methylbutyl)benzene Formula: C17H25NS MolecularWeight: 275.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C(=CC=C1)C(C)CCC)N=C=S

Isomeric SMILES

CCCC(C)C1=C(C(=CC=C1)C(C)CCC)N=C=S

InChI

InChI=1S/C17H25NS/c1-5-8-13(3)15-10-7-11-16(14(4)9-6-2)17(15)18-12-19/h7,10-11,13-14H,5-6,8-9H2,1-4H3