2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenyl-benzene

Systemtic Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenyl-benzene Openeye Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenyl-benzene CAS Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenylbenzene IUPAC Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenylbenzene Traditional Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-4-(2-methylbutyl)-1-phenyl-benzene Formula: C26H27NS MolecularWeight: 385.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC(=C(C=C1)C2=CC=CC=C2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCC(C)CC1=CC(=C(C=C1)C2=CC=CC=C2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H27NS/c1-3-20(2)17-22-12-16-26(23-7-5-4-6-8-23)24(18-22)13-9-21-10-14-25(15-11-21)27-19-28/h4-8,10-12,14-16,18,20H,3,9,13,17H2,1-2H3