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

Systemtic Name: 1,3-di(butan-2-yl)-2-isothiocyanato-5-(phenylmethyl)benzene Openeye Name: 5-benzyl-2-isothiocyanato-1,3-disec-butyl-benzene CAS Name: 1,3-di(butan-2-yl)-2-isothiocyanato-5-(phenylmethyl)benzene IUPAC Name: 5-benzyl-1,3-di(butan-2-yl)-2-isothiocyanatobenzene Traditional Name: 5-benzyl-2-isothiocyanato-1,3-disec-butyl-benzene Formula: C22H27NS MolecularWeight: 337.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1N=C=S)C(C)CC)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1N=C=S)C(C)CC)CC2=CC=CC=C2

InChI

InChI=1S/C22H27NS/c1-5-16(3)20-13-19(12-18-10-8-7-9-11-18)14-21(17(4)6-2)22(20)23-15-24/h7-11,13-14,16-17H,5-6,12H2,1-4H3