1,3-di(butan-2-yl)-2-isothiocyanato-5-methyl-benzene

Systemtic Name: 1,3-di(butan-2-yl)-2-isothiocyanato-5-methyl-benzene Openeye Name: 2-isothiocyanato-5-methyl-1,3-disec-butyl-benzene CAS Name: 1,3-di(butan-2-yl)-2-isothiocyanato-5-methylbenzene IUPAC Name: 1,3-di(butan-2-yl)-2-isothiocyanato-5-methylbenzene Traditional Name: 2-isothiocyanato-5-methyl-1,3-disec-butyl-benzene Formula: C16H23NS MolecularWeight: 261.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1N=C=S)C(C)CC)C

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1N=C=S)C(C)CC)C

InChI

InChI=1S/C16H23NS/c1-6-12(4)14-8-11(3)9-15(13(5)7-2)16(14)17-10-18/h8-9,12-13H,6-7H2,1-5H3