4-(heptadecylsulfanylmethyl)-N-phenyl-aniline

Systemtic Name: 4-(heptadecylsulfanylmethyl)-N-phenyl-aniline Openeye Name: 4-(heptadecylsulfanylmethyl)-N-phenyl-aniline CAS Name: 4-[(heptadecylthio)methyl]-N-phenylaniline IUPAC Name: 4-(heptadecylsulfanylmethyl)-N-phenylaniline Traditional Name: [4-[(heptadecylthio)methyl]phenyl]-phenyl-amine Formula: C30H47NS MolecularWeight: 453.76588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C30H47NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32-27-28-22-24-30(25-23-28)31-29-20-17-16-18-21-29/h16-18,20-25,31H,2-15,19,26-27H2,1H3